ChemSpider 2D Image | (2S,3Z)-2-{(Z)-[(2S)-2-{(Z)-[(2S)-2-Amino-1-hydroxy-3-methylbutylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphono-3-pentenoic acid | C16H31N6O7P

(2S,3Z)-2-{(Z)-[(2S)-2-{(Z)-[(2S)-2-Amino-1-hydroxy-3-methylbutylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphono-3-pentenoic acid

  • Molecular FormulaC16H31N6O7P
  • Average mass450.427 Da
  • Monoisotopic mass450.199188 Da
  • ChemSpider ID58837870

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3Z)-2-{(Z)-[(2S)-2-{(Z)-[(2S)-2-Amino-1-hydroxy-3-methylbutyliden]amino}-5-carbamimidamido-1-hydroxypentyliden]amino}-5-phosphono-3-pentensäure [German] [ACD/IUPAC Name]
(2S,3Z)-2-{(Z)-[(2S)-2-{(Z)-[(2S)-2-Amino-1-hydroxy-3-methylbutylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphono-3-pentenoic acid [ACD/IUPAC Name]
3-Pentenoic acid, 2-[[(1Z,2S)-2-[[(1Z,2S)-2-amino-1-hydroxy-3-methylbutylidene]amino]-5-[(aminoiminomethyl)amino]-1-hydroxypentylidene]amino]-5-phosphono-, (2S,3Z)- [ACD/Index Name]
Acide (2S,3Z)-2-{(Z)-[(2S)-2-{(Z)-[(2S)-2-amino-1-hydroxy-3-méthylbutylidène]amino}-5-carbamimidamido-1-hydroxypentylidène]amino}-5-phosphono-3-penténoïque [French] [ACD/IUPAC Name]
L-Val-L-Arg-APPA
L-valyl-L-arginyl-2-amino-5-phosphono-3-cis-pentenoate
L-valyl-L-arginyl-2-amino-5-phosphono-3-cis-pentenoic acid
Rhizocticin B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 740.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.6±6.0 kJ/mol
Flash Point: 401.7±35.7 °C
Index of Refraction: 1.622
Molar Refractivity: 103.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 11
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -4.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 258 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 69.7±7.0 dyne/cm
Molar Volume: 294.1±7.0 cm3

Click to predict properties on the Chemicalize site


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