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Isomaltooctaose

CAT: 1596-AR-M03834-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M03834-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35867-37-9
Molecular Formula
C48H82O41
Molecular Weight
1315.14
API Name
Maltose

Chemical Information

Isomaltooctaose
CAS Number35867-37-9
PubChem CID178246939
IUPAC Name(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
Molecular FormulaC48H82O41
Molecular Weight1315.1
XLogP-17.9
Topological Polar Surface Area672
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count41
Rotatable Bond Count26
Heavy Atom Count89
Formal Charge0
Complexity2120
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)OC[C@@H]6[C@H]([C@@H]([C@H]([C@H](O6)OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C48H82O41/c49-1-10(51)19(53)20(54)11(52)3-76-42-36(70)29(63)22(56)13(84-42)5-78-44-38(72)31(65)24(58)15(86-44)7-80-46-40(74)33(67)26(60)17(88-46)9-82-48-41(75)34(68)27(61)18(89-48)8-81-47-39(73)32(66)25(59)16(87-47)6-79-45-37(71)30(64)23(57)14(85-45)4-77-43-35(69)28(62)21(55)12(2-50)83-43/h1,10-48,50-75H,2-9H2/t10-,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-/m0/s1
InChIKey
XBMVWLKWBPQYMT-XIQJMDOXSA-N
Chemical Structure
2D Structure
2D structure of Isomaltooctaose
CAS: 35867-37-9
CID: 178246939
Formula: C48H82O41
MW: 1315.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1315.1
XLogP3-17.9
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count41
Rotatable Bond Count26
Exact Mass1314.4331520
Monoisotopic Mass1314.4331520
Topological Polar Surface Area672 Ų
Heavy Atom Count89
Formal Charge0
Complexity2120
Isotope Atom Count0
Defined Atom Stereocenter Count39
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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