A 503
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Basic information
- CAS
134404-00-5- Standard SMILES
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC(C=O)C(OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(OP(=O)(O)O)C(O)COC1(C(=O)O)CC(O)C(OC2OC(C(O)CO)C(O)C(O)C2O)C(C(O)CO)O1- InChIKey
PGLGZCRDMQJGFS-UHFFFAOYSA-N- Molecular formula
- C77H142NO27P
- Average molar mass
- 1,544.9 g/mol
- Monoisotopic mass
- 1,543.95068525
Overview
structure given in first source
Names & identifiers
- Preferred name
- A 503
- IUPAC
- 6-(1,2-dihydroxyethyl)-5-[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-2-[2-hydroxy-6-oxo-3-phosphonooxy-5-(3-tetradecanoyloxytetradecanoylamino)-4-(3-tetradecanoyloxytetradecanoyloxy)hexoxy]oxane-2-carboxylic acid
- English name
- A 503
- Molecular formula
- C77H142NO27P
- Molecular weight
- 1544.92
Names & synonyms
Heptose-kdo-glcn-4-P134404-00-5A 503A-503RefChem:108299Heptose-alpha1-5-2-keto-3-deoxyoctonic acid-alpha1-6-2,3-di-(3-tetradecanoyloxytetradecanoyl)glucosamine-4-phosphateD-Glucose, O-L-glycero-alpha-D-manno-heptopyranosyl-(1-5)-O-3-deoxy-alpha-D-manno-2-octulopyranosyl-(2-6)-2-deoxy-2-((1-oxo-3-((1-oxatetradecyl)oxy)tetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxotetradecyl)oxy)tetradecanoate), (2(R),3(R))-D-Glucose, O-L-glycero-α-D-manno-heptopyranosyl-(1→5)-O-3-deoxy-α-D-manno-2-octulopyranosonosyl-(2→6)-2-deoxy-2-[[1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]amino]-, 4-(dihydrogen phosphate) 3-[3-[(1-oxotetradecyl)oxy]tetradecanoate], [2(R),3(R)]- (9CI)
Database identifiers
- CAS
134404-00-5- PubChem CID
- 164359
Properties
Computed structural propertiesFilling in
- XLogP
- 14.9
- Topological polar surface area
- 448 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 27
- Rotatable bonds
- 71
- Heavy atoms
- 106
- Formal charge
- 0
- Complexity
- 2,340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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