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Fructo-oligosaccharide DP13

CAT: 0931-T82370-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82370-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
137405-37-9
Bioactivity
Fructo-oligosaccharide DP13 is an inulin-type fructan that can be isolated from Morinda officinalis [1].
Smiles
C(O[C@]1(CO[C@]2(CO[C@]3(CO[C@]4(CO[C@]5(CO[C@]6(CO[C@]7(CO[C@]8(CO[C@]9(CO[C@]%10(CO[C@]%11(CO)O[C@H](CO)[C@@H](O)[C@@H]%11O)O[C@H](CO)[C@@H](O)[C@@H]%10O)O[C@H](CO)[C@@H](O)[C@@H]9O)O[C@H](CO)[C@@H](O)[C@@H]8O)O[C@H](CO)[C@@H](O)[C@@H]7O)O[C@H](CO)[C@@H](O)[C@@H]6O)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@]%12(O[C@H]%13O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%13O)O[C@H](CO)[C@@H](O)[C@@H]%12O
Molecular Formula
C78H132O66
Molecular Weight
2125.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fructo-oligosaccharide DP13/GF12
CAS Number137405-37-9
PubChem CID168265995
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC78H132O66
Molecular Weight2125.8
XLogP-24
Topological Polar Surface Area1060
Hydrogen Bond Donor Count41
Hydrogen Bond Acceptor Count66
Rotatable Bond Count49
Heavy Atom Count144
Formal Charge0
Complexity4030
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO[C@]6([C@H]([C@@H]([C@H](O6)CO)O)O)CO[C@]7([C@H]([C@@H]([C@H](O7)CO)O)O)CO[C@]8([C@H]([C@@H]([C@H](O8)CO)O)O)CO[C@]9([C@H]([C@@H]([C@H](O9)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO)O)O)O)O
InChI
InChI=1S/C78H132O66/c79-1-26-39(93)52(106)53(107)66(131-26)144-78(65(119)51(105)38(13-91)143-78)25-130-77(64(118)50(104)37(12-90)142-77)24-129-76(63(117)49(103)36(11-89)141-76)23-128-75(62(116)48(102)35(10-88)140-75)22-127-74(61(115)47(101)34(9-87)139-74)21-126-73(60(114)46(100)33(8-86)138-73)20-125-72(59(113)45(99)32(7-85)137-72)19-124-71(58(112)44(98)31(6-84)136-71)18-123-70(57(111)43(97)30(5-83)135-70)17-122-69(56(110)42(96)29(4-82)134-69)16-121-68(55(109)41(95)28(3-81)133-68)15-120-67(14-92)54(108)40(94)27(2-80)132-67/h26-66,79-119H,1-25H2/t26-,27-,28-,29-,30-,31-,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+,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78+/m1/s1
InChIKey
SWEPQNVTSHGQDC-RNTIGUIKSA-N
Chemical Structure
2D Structure
2D structure of Fructo-oligosaccharide DP13/GF12
CAS: 137405-37-9
CID: 168265995
Formula: C78H132O66
MW: 2125.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2125.8
XLogP3-24
Hydrogen Bond Donor Count41
Hydrogen Bond Acceptor Count66
Rotatable Bond Count49
Exact Mass2124.6972691
Monoisotopic Mass2124.6972691
Topological Polar Surface Area1060 Ų
Heavy Atom Count144
Formal Charge0
Complexity4030
Isotope Atom Count0
Defined Atom Stereocenter Count53
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5824022Fructo-oligosaccharide DP13
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