Basic information
- CAS
142235-84-5- Standard SMILES
C=CCOC1OC(COC2(C(=O)[O-])CC(O)C(O)C(C(O)CO)O2)C(OP(=O)([O-])O)C(O)C1NC(=O)CC(O)CCCCCCCCCCC.[NH4+].[NH4+]- InChIKey
URCOLWSMQSKQHL-UHFFFAOYSA-N- Molecular formula
- C31H62N3O17P
- Average molar mass
- 779.8 g/mol
- Monoisotopic mass
- 779.38168452
Overview
structure given in first source; a substructure of some endotoxic lipopolysaccharides; used for immunological studies
Names & identifiers
- Preferred name
- Allyl 6-O-(3-deoxyoct-2-ulopyranosylonic acid)-(1-6)-2-deoxy-2-(3-hydroxytetradecanamido)glucopyranoside 4-phosphate
- IUPAC
- diazanium;6-(1,2-dihydroxyethyl)-4,5-dihydroxy-2-[[4-hydroxy-3-[hydroxy(oxido)phosphoryl]oxy-5-(3-hydroxytetradecanoylamino)-6-prop-2-enoxyoxan-2-yl]methoxy]oxane-2-carboxylate
Names & synonyms
Allyl dodhgp142235-84-5Allyl 6-O-(3-deoxyoct-2-ulopyranosylonic acid)-(1-6)-2-deoxy-2-(3-hydroxytetradecanamido)glucopyranoside 4-phosphateRefChem:110855
Database identifiers
- CAS
142235-84-5- PubChem CID
- 197461
Properties
Computed structural properties
- Topological polar surface area
- 299 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 23
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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