Basic information
- CAS
106444-87-5- Standard SMILES
COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O- InChIKey
YCZQLWYIQGIWNG-MEPBBHJSSA-N- Molecular formula
- C30H53NO18
- Average molar mass
- 715.7 g/mol
- Monoisotopic mass
- 715.32626384
Overview
acceptor for N-acetylglucosaminyltransferase-V; structure given in first source
Names & identifiers
- Preferred name
- 8-methoxycarbonyloctyl 6-O-(2-O-(2-acetamido-2-deoxyglucopyranosyl)mannopyranosyl)mannopyranoside
- IUPAC
- methyl 9-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxynonanoate
- English name
- 8-methoxycarbonyloctyl 6-O-(2-O-(2-acetamido-2-deoxyglucopyranosyl)mannopyranosyl)mannopyranoside
- Molecular formula
- C30H53NO18
- Molecular weight
- 715.74
Names & synonyms
Madgmm106444-87-58-Methoxycarbonyloctyl 6-O-(2-O-(2-acetamido-2-deoxyglucopyranosyl)mannopyranosyl)mannopyranosideRefChem:107239methyl 9-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxynonanoateSCHEMBL8744639DTXSID30910002Methyl 9-({2-deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-beta-D-mannopyranosyl}oxy)nonanoateMethyl 9-({2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl-(1->2)hexopyranosyl-(1->6)hexopyranosyl}oxy)nonanoateNonanoic acid, 9-[[O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-α-D-mannopyranosyl-(1→6)-β-D-mannopyranosyl]oxy]-, methyl ester
Database identifiers
- CAS
106444-87-5- PubChem CID
- 129604
- DTXSID
DTXSID30910002
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 293 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 19
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 995
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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