Products for Research Use Only
RegisterLogin

GD1b Sphingosine (d18:1)

CAT: 0931-TYD-04020-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TYD-04020-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
767340-32-9
Target
Others
Related Pathways
Others
Bioactivity
GD1b Sphingosine (d18:1) serves as a precursor to GD1b ganglioside.
Smiles
O([C@@]1(C(O)=O)O[C@@]([C@@H]([C@H](O[C@@]2(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C2)[H])CO)O)([C@H](NC(C)=O)[C@@H](O)C1)[H])[C@H]3[C@@H](O[C@H]4[C@H](NC(C)=O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@@H](CO)O4)[C@@H](CO)O[C@@H](O[C@@H]6[C@@H](CO)O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)N)[C@H](O)[C@H]6O)[C@@H]3O
Molecular Formula
C66H114N4O38
Molecular Weight
1571.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid
CAS Number767340-32-9
PubChem CID178203590
IUPAC Name(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid
Molecular FormulaC66H114N4O38
Molecular Weight1571.6
XLogP-9.4
Topological Polar Surface Area683
Hydrogen Bond Donor Count25
Hydrogen Bond Acceptor Count39
Rotatable Bond Count42
Heavy Atom Count108
Formal Charge0
Complexity2780
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)N)O
InChI
InChI=1S/C66H114N4O38/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(80)31(67)27-97-60-51(91)49(89)53(39(25-75)100-60)102-62-52(92)58(54(40(26-76)101-62)103-59-43(70-30(4)79)55(46(86)37(23-73)98-59)104-61-50(90)48(88)45(85)36(22-72)99-61)108-66(64(95)96)20-34(82)42(69-29(3)78)57(107-66)47(87)38(24-74)105-65(63(93)94)19-33(81)41(68-28(2)77)56(106-65)44(84)35(83)21-71/h17-18,31-62,71-76,80-92H,5-16,19-27,67H2,1-4H3,(H,68,77)(H,69,78)(H,70,79)(H,93,94)(H,95,96)/b18-17+/t31-,32+,33-,34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45-,46-,47+,48-,49+,50+,51+,52+,53+,54-,55+,56+,57+,58+,59-,60+,61-,62-,65+,66-/m0/s1
InChIKey
ZTCOQCXXLYFYNK-JMKIOXMOSA-N
Chemical Structure
2D Structure
2D structure of (2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid
CAS: 767340-32-9
CID: 178203590
Formula: C66H114N4O38
MW: 1571.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1571.6
XLogP3-9.4
Hydrogen Bond Donor Count25
Hydrogen Bond Acceptor Count39
Rotatable Bond Count42
Exact Mass1570.7111052
Monoisotopic Mass1570.7111052
Topological Polar Surface Area683 Ų
Heavy Atom Count108
Formal Charge0
Complexity2780
Isotope Atom Count0
Defined Atom Stereocenter Count34
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TYD-04434-01GM2 Sphingosine (d18:1)
T211594-01Sphingosine (d18:1 (14Z) )
TYD-04259-01GT3 Sphingosine (d18:1)
TYD-04224-01Azido sphingosine (d18:1)
TYD-04377-01GD2 Sphingosine (d18:1)
TYD-03974-01GM1 Sphingosine (d18:1)
TYD-03964-01Fuc-GM1 Sphingosine (d18:1)
TCL-01749-01Sphingosine-1-phosphate (d18:1) alkyne
T211733-01Sphingosine-1-phosphate (d18:1 (14Z) )
T85161-01N, N-dihexyl Sphingosine (d18:1/6:0/6:0)

Alternative Products

CatalogName
HY-N15800GD1b Sphingosine (d18:1)
ENB09691-01Sphingosine (d18:1) alkyne
GTR19268880-01Azido sphingosine (d18:1)
HY-N16332GM1 Sphingosine (d18:1)
HY-N15906GM2 Sphingosine (d18:1)
HY-N15836GT3 Sphingosine (d18:1)
HY-N15811GD2 Sphingosine (d18:1)
HY-152020SSphingosine-d9 (d18:1)
HY-176115Sphingosine (d18:1 (14Z) )
HY-N15901Fuc-GM1 Sphingosine (d18:1)

Popular Products