Products for Research Use Only

Globo-H hexaose

CAT: 0926-OG10692-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-OG10692-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
77538-31-9
Synonyms
Fuc-a-1,2-Gal-b-1,3-GalNAc-b-1,3-Gal-a-1,4-Gal-b-1,4-Glc
MDL Number
MFCD18643214
Smiles
CC1OC (OC2C (O) C (O) C (CO) OC2OC3C (O) C (CO) OC (OC4C (O) C (CO) OC (OC5C (O) C (O) C (OC6C (O) C (O) C (O) OC6CO) OC5CO) C4O) C3NC (=O) C) C (O) C (O) C1O
Molecular Formula
C38H65NO30
Molecular Weight
1,015.91 g/mol
Controlled
No

Chemical Information

GlyTouCan:G51048YI
CAS Number77538-31-9
PubChem CID75995784
IUPAC NameN-[2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Molecular FormulaC38H65NO30
Molecular Weight1015.9
XLogP-11.2
Topological Polar Surface Area495
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count30
Rotatable Bond Count16
Heavy Atom Count69
Formal Charge0
Complexity1610
SMILES
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3O)CO)OC4C(C(OC(C4O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O)CO)CO)CO)O)NC(=O)C)CO)O)O)O)O)O
InChI
InChI=1S/C38H65NO30/c1-8-16(46)20(50)25(55)35(59-8)69-32-21(51)17(47)10(3-40)63-38(32)67-30-15(39-9(2)45)34(61-11(4-41)18(30)48)68-31-19(49)12(5-42)62-37(27(31)57)66-29-14(7-44)64-36(26(56)23(29)53)65-28-13(6-43)60-33(58)24(54)22(28)52/h8,10-38,40-44,46-58H,3-7H2,1-2H3,(H,39,45)
InChIKey
GTDZRNBIPFWIHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GlyTouCan:G51048YI
CAS: 77538-31-9
CID: 75995784
Formula: C38H65NO30
MW: 1015.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1015.9
XLogP3-11.2
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count30
Rotatable Bond Count16
Exact Mass1015.35913966
Monoisotopic Mass1015.35913966
Topological Polar Surface Area495 Ų
Heavy Atom Count69
Formal Charge0
Complexity1610
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count30
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes