ChemSpider 2D Image | (6Z)-6-{[(1Z)-1-{[(1R)-1-Carboxy-2-methyl-2-propen-1-yl]imino}-1-hydroxy-3-sulfanyl-2-propanyl]imino}-6-hydroxynorleucine | C14H23N3O6S

(6Z)-6-{[(1Z)-1-{[(1R)-1-Carboxy-2-methyl-2-propen-1-yl]imino}-1-hydroxy-3-sulfanyl-2-propanyl]imino}-6-hydroxynorleucine

  • Molecular FormulaC14H23N3O6S
  • Average mass361.414 Da
  • Monoisotopic mass361.130768 Da
  • ChemSpider ID64873359

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(6Z)-6-{[(1Z)-1-{[(1R)-1-Carboxy-2-methyl-2-propen-1-yl]imino}-1-hydroxy-3-sulfanyl-2-propanyl]imino}-6-hydroxynorleucin [German] [ACD/IUPAC Name]
(6Z)-6-{[(1Z)-1-{[(1R)-1-Carboxy-2-methyl-2-propen-1-yl]imino}-1-hydroxy-3-sulfanyl-2-propanyl]imino}-6-hydroxynorleucine [ACD/IUPAC Name]
(6Z)-6-{[(1Z)-1-{[(1R)-1-Carboxy-2-méthyl-2-propén-1-yl]imino}-1-hydroxy-3-sulfanyl-2-propanyl]imino}-6-hydroxynorleucine [French] [ACD/IUPAC Name]
Norleucine, 6-[[(2Z)-2-[[(1R)-1-carboxy-2-methyl-2-propen-1-yl]imino]-2-hydroxy-1-(mercaptomethyl)ethyl]imino]-6-hydroxy-, (6Z)- [ACD/Index Name]
D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 603.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.0±6.0 kJ/mol
Flash Point: 319.0±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.17
ACD/LogD (pH 5.5): -2.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 254.8±7.0 cm3

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