2-Deoxy-6-O-(2-deoxy-3-O-((R)-3-(Z)-dodec-5-enoyloxydecyl)-6-O-methyl-2-(3-oxotetradecanoylamino)-4-o-phosphonato-b-D-glucopyrnosyl)-3-O-((R)-3-hydroxydecyl)-2-(3-oxotetradecanoylamino)-a-D-glucopyranosylphosphate tetrasodium
Basic information
- CAS
151663-12-6- Standard SMILES
CCCCCC/C=C\CCCC(=O)O[C@H](CCCCCCC)CCO[C@@H]1[C@@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OCC[C@H](O)CCCCCCC)[C@@H]2O)O[C@H](COC)[C@H]1OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]- InChIKey
DGMRJWGRBMZSNS-PUTBNFGESA-J- Molecular formula
- C73H132N2Na4O22P2
- Average molar mass
- 1,543.7 g/mol
- Monoisotopic mass
- 1,542.833775
Names & identifiers
- Preferred name
- 2-Deoxy-6-O-(2-deoxy-3-O-((R)-3-(Z)-dodec-5-enoyloxydecyl)-6-O-methyl-2-(3-oxotetradecanoylamino)-4-o-phosphonato-b-D-glucopyrnosyl)-3-O-((R)-3-hydroxydecyl)-2-(3-oxotetradecanoylamino)-a-D-glucopyranosylphosphate tetrasodium
- IUPAC
- tetrasodium;[(2R,3S,4R,5R,6R)-4-[(3R)-3-[(Z)-dodec-5-enoyl]oxydecoxy]-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-4-[(3R)-3-hydroxydecoxy]-5-(3-oxotetradecanoylamino)-6-phosphonatooxyoxan-2-yl]methoxy]-2-(methoxymethyl)-5-(3-oxotetradecanoylamino)oxan-3-yl] phosphate
Names & synonyms
E-5531 tetrasodiumHX9L0AHW4ZUNII-HX9L0AHW4Z151663-12-62-Deoxy-6-O-(2-deoxy-3-O-((R)-3-(Z)-dodec-5-enoyloxydecyl)-6-O-methyl-2-(3-oxotetradecanoylamino)-4-o-phosphonato-b-D-glucopyrnosyl)-3-O-((R)-3-hydroxydecyl)-2-(3-oxotetradecanoylamino)-a-D-glucopyranosylphosphate tetrasodium.ALPHA.-D-GLUCOPYRANOSE, 2-DEOXY-6-O-(2-DEOXY-2-((1,3-DIOXOTETRADECYL)AMINO)-6-O-METHYL-3-O-((3R)-3-(((5Z)-1-OXO-5-DODECENYL)OXY)DECYL)-4-O-PHOSPHONO-.BETA.-D-GLUCOPYRANOSYL)-2-((1,3-DIOXOTETRADECYL)AMINO)-3-O-((3R)-3-HYDROXYDECYL)-, 1-(DIHYDROGEN PHOSPHATE), TETRASODIUM SALT.ALPHA.-D-GLUCOPYRANOSE, 2-DEOXY-6-O-(2-DEOXY-2-((1,3-DIOXOTETRADECYL)AMINO)-6-O-METHYL-3-O-(3-((1-OXO-5-DODECENYL)OXY)DECYL)-4-O-PHOSPHONO-.BETA.-D-GLUCOPYRANOSYL)-2-((1,3-DIOXOTETRADECYL)AMINO)-3-O-(3-HYDROXYDECYL)-, 1-(DIHYDROGEN PHOSPHATE), TETRASODIUM SALT, (3(R),6(R(Z)))-
Database identifiers
- CAS
151663-12-6- PubChem CID
- 9812656
- UNII
- HX9L0AHW4Z
Properties
Computed structural properties
- Topological polar surface area
- 359 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 64
- Heavy atoms
- 103
- Formal charge
- 0
- Complexity
- 2,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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