ChemSpider 2D Image | 2-{[(2E)-2-{[(1Z)-2-{[(Benzyloxy)carbonyl]amino}-1-hydroxy-1-propen-1-yl]imino}-1-hydroxy-3-methylbutyl]amino}-5-({N-[(2E)-2-{[(benzyloxy)carbonyl]imino}-1-hydroxypropyl]valyl}amino)-1,2,5,6-tetradeox y-1,6-diphenylhexitol | C50H64N6O10

2-{[(2E)-2-{[(1Z)-2-{[(Benzyloxy)carbonyl]amino}-1-hydroxy-1-propen-1-yl]imino}-1-hydroxy-3-methylbutyl]amino}-5-({N-[(2E)-2-{[(benzyloxy)carbonyl]imino}-1-hydroxypropyl]valyl}amino)-1,2,5,6-tetradeox y-1,6-diphenylhexitol

  • Molecular FormulaC50H64N6O10
  • Average mass909.077 Da
  • Monoisotopic mass908.468384 Da
  • ChemSpider ID95640538

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(2E)-2-{[(1Z)-2-{[(Benzyloxy)carbonyl]amino}-1-hydroxy-1-propen-1-yl]imino}-1-hydroxy-3-methylbutyl]amino}-5-({N-[(2E)-2-{[(benzyloxy)carbonyl]imino}-1-hydroxypropyl]valyl}amino)-1,2,5,6-tetradeox y-1,6-diphenylhexitol [ACD/IUPAC Name]
2-{[(2E)-2-{[(1Z)-2-{[(Benzyloxy)carbonyl]amino}-1-hydroxy-1-propen-1-yl]imino}-1-hydroxy-3-methylbutyl]amino}-5-({N-[(2E)-2-{[(benzyloxy)carbonyl]imino}-1-hydroxypropyl]valyl}amino)-1,2,5,6-tetradeso xy-1,6-diphenylhexitol [German] [ACD/IUPAC Name]
2-{[(2E)-2-{[(1Z)-2-{[(Benzyloxy)carbonyl]amino}-1-hydroxy-1-propén-1-yl]imino}-1-hydroxy-3-méthylbutyl]amino}-5-({N-[(2E)-2-{[(benzyloxy)carbonyl]imino}-1-hydroxypropyl]valyl}amino)-1,2,5,6-tétradéso xy-1,6-diphénylhexitol [French] [ACD/IUPAC Name]
Hexitol, 1,2,5,6-tetradeoxy-2-[[(2E)-1-hydroxy-2-[[(1Z)-1-hydroxy-2-[[(phenylmethoxy)carbonyl]amino]-1-propen-1-yl]imino]-3-methylbutyl]amino]-5-[[2-[[(2E)-1-hydroxy-2-[[(phenylmethoxy)carbonyl]imino] propyl]amino]-3-methyl-1-oxobutyl]amino]-1,6-diphenyl- [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: 1.595
Molar Refractivity: 249.6±0.5 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 4
ACD/LogP: 11.93
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 505.66
ACD/KOC (pH 5.5): 809.34
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 454.03
ACD/KOC (pH 7.4): 726.71
Polar Surface Area: 244 Å2
Polarizability: 99.0±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 734.6±7.0 cm3

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