Found 3 results

Search term: MF = 'C_{42}H_{57}NO_{11}S'
ChemSpider 2D Image | Benzyl (2R,3R)-2-{[(benzyloxy)carbonyl]amino}-2-{[(benzyloxy)methoxy]methyl}-12-oxo-3-(sulfooxy)octadecanoate | C42H57NO11S

Benzyl (2R,3R)-2-{[(benzyloxy)carbonyl]amino}-2-{[(benzyloxy)methoxy]methyl}-12-oxo-3-(sulfooxy)octadecanoate

  • Molecular FormulaC42H57NO11S
  • Average mass783.967 Da
  • Monoisotopic mass783.365234 Da
  • ChemSpider ID9574997

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2-{[(Benzyloxy)carbonyl]amino}-2-{[(benzyloxy)méthoxy]méthyl}-12-oxo-3-(sulfooxy)octadécanoate de benzyle [French] [ACD/IUPAC Name]
Benzyl (2R,3R)-2-{[(benzyloxy)carbonyl]amino}-2-{[(benzyloxy)methoxy]methyl}-12-oxo-3-(sulfooxy)octadecanoate [ACD/IUPAC Name]
Benzyl-(2R,3R)-2-{[(benzyloxy)carbonyl]amino}-2-{[(benzyloxy)methoxy]methyl}-12-oxo-3-(sulfooxy)octadecanoat [German] [ACD/IUPAC Name]
Octadecanoic acid, 12-oxo-2-[[(phenylmethoxy)carbonyl]amino]-2-[[(phenylmethoxy)methoxy]methyl]-3-(sulfooxy)-, 1-(phenylmethyl) ester, (2R,3R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.553
Molar Refractivity: 210.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 13.26
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 1863.18
ACD/KOC (pH 5.5): 772.02
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 1775.70
ACD/KOC (pH 7.4): 735.78
Polar Surface Area: 172 Å2
Polarizability: 83.4±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 657.8±3.0 cm3

Click to predict properties on the Chemicalize site


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