ChemSpider 2D Image | 2-Deoxy-6-O-(2-deoxy-3-O-{(3R)-3-[(5Z)-5-dodecenoyloxy]decyl}-6-O-methyl-2-[(3-oxotetradecanoyl)amino]-4-O-phosphono-beta-D-glucopyranosyl)-3-O-[(3R)-3-hydroxydecyl]-2-[(3-oxotetradecanoyl)amino]-1-O-
phosphono-alpha-D-glucopyranose | C73H136N2O22P2

2-Deoxy-6-O-(2-deoxy-3-O-{(3R)-3-[(5Z)-5-dodecenoyloxy]decyl}-6-O-methyl-2-[(3-oxotetradecanoyl)amino]-4-O-phosphono-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxydecyl]-2-[(3-oxotetradecanoyl)amino]-1-O- phosphono-α-D-glucopyranose

  • Molecular FormulaC73H136N2O22P2
  • Average mass1455.809 Da
  • Monoisotopic mass1454.906006 Da
  • ChemSpider ID4946357
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

162679-36-9 [RN]
2-Deoxy-6-O-(2-deoxy-3-O-{(3R)-3-[(5Z)-5-dodecenoyloxy]decyl}-6-O-methyl-2-[(3-oxotetradecanoyl)amino]-4-O-phosphono-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxydecyl]-2-[(3-oxotetradecanoyl)amino]-1-O- phosphono-α-D-glucopyranose [ACD/IUPAC Name]
2-Desoxy-6-O-(2-desoxy-3-O-{(3R)-3-[(5Z)-5-dodecenoyloxy]decyl}-6-O-methyl-2-[(3-oxotetradecanoyl)amino]-4-O-phosphono-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxydecyl]-2-[(3-oxotetradecanoyl)amino]-1- O-phosphono-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Désoxy-6-O-(2-désoxy-3-O-{(3R)-3-[(5Z)-5-dodecenoyloxy]décyl}-6-O-méthyl-2-[(3-oxotetradecanoyl)amino]-4-O-phosphono-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxydécyl]-2-[(3-oxotetradecanoyl)amino]-1- O-phosphono-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-deoxy-6-O-[2-deoxy-2-[(1,3-dioxotetradecyl)amino]-6-O-methyl-3-O-[(3R)-3-[[(5Z)-1-oxo-5-dodecen-1-yl]oxy]decyl]-4-O-phosphono-β-D-glucopyranosyl]-2-[(1,3-dioxotetradecyl)am ino]-3-O-[(3R)-3-hydroxydecyl]-, 1-(dihydrogen phosphate) [ACD/Index Name]
[(2R,3R,4R,5S,6R)-6-({[(2R,3R,4R,5S,6R)-4-{[(3R)-3-[(5Z)-DODEC-5-ENOYLOXY]DECYL]OXY}-6-(METHOXYMETHYL)-3-(3-OXOTETRADECANAMIDO)-5-(PHOSPHONOOXY)OXAN-2-YL]OXY}METHYL)-5-HYDROXY-4-{[(3R)-3-HYDROXYDECYL]OXY}-3-(3-OXOTETRADECANAMIDO)OXAN-2-YL]OXYPHOSPHONIC ACID

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4468VT5E70 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.522
Molar Refractivity: 381.9±0.4 cm3
#H bond acceptors: 24
#H bond donors: 8
#Freely Rotating Bonds: 66
#Rule of 5 Violations: 4
ACD/LogP: 18.54
ACD/LogD (pH 5.5): 11.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 461425.50
ACD/LogD (pH 7.4): 10.11
ACD/BCF (pH 7.4): 870435.06
ACD/KOC (pH 7.4): 9907.31
Polar Surface Area: 368 Å2
Polarizability: 151.4±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 1252.4±5.0 cm3

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