ChemSpider 2D Image | (4S)-4,5-Diamino-3,3-bis(carboxymethyl)heptanedioic acid | C11H18N2O8

(4S)-4,5-Diamino-3,3-bis(carboxymethyl)heptanedioic acid

  • Molecular FormulaC11H18N2O8
  • Average mass306.269 Da
  • Monoisotopic mass306.106323 Da
  • ChemSpider ID101935735

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4S)-4,5-Diamino-3,3-bis(carboxymethyl)heptandisäure [German] [ACD/IUPAC Name]
(4S)-4,5-Diamino-3,3-bis(carboxymethyl)heptanedioic acid [ACD/IUPAC Name]
Acide (4S)-4,5-diamino-3,3-bis(carboxyméthyl)heptanedioïque [French] [ACD/IUPAC Name]
Heptanedioic acid, 4,5-diamino-3,3-bis(carboxymethyl)-, (4S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 562.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.4±6.0 kJ/mol
Flash Point: 293.9±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 66.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -3.26
ACD/LogD (pH 5.5): -5.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 89.3±3.0 dyne/cm
Molar Volume: 196.8±3.0 cm3

Click to predict properties on the Chemicalize site


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