ChemSpider 2D Image | 9-[(6S)-3,6-Anhydro-6-carboxy-6-(carboxymethyl)-5-deoxy-beta-L-erythro-hex-4-enofuranosyl]-9H-purin-6-amine | C14H13N5O7

9-[(6S)-3,6-Anhydro-6-carboxy-6-(carboxymethyl)-5-deoxy-β-L-erythro-hex-4-enofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC14H13N5O7
  • Average mass363.282 Da
  • Monoisotopic mass363.081512 Da
  • ChemSpider ID59700572

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9-[(3ξ,6S)-3,6-Anhydro-6-carboxy-6-(carboxymethyl)-5-deoxy-β-L-glycero-hex-4-enofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[(3ξ,6S)-3,6-Anhydro-6-carboxy-6-(carboxymethyl)-5-desoxy-β-L-glycero-hex-4-enofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[(3ξ,6S)-3,6-Anhydro-6-carboxy-6-(carboxyméthyl)-5-désoxy-β-L-glycéro-hex-4-énofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9-[(6S)-3,6-Anhydro-6-carboxy-6-(carboxymethyl)-5-deoxy-β-L-erythro-hex-4-enofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[(6S)-3,6-Anhydro-6-carboxy-6-(carboxymethyl)-5-desoxy-β-L-erythro-hex-4-enofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[(6S)-3,6-Anhydro-6-carboxy-6-(carboxyméthyl)-5-désoxy-β-L-érythro-hex-4-énofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-(3,6-anhydro-6-C-carboxy-5,7-dideoxy-β-L-ribo-oct-4-enofuranuronosyl)- [ACD/Index Name]
9H-Purin-6-amine, 9-[(3ξ)-3,6-anhydro-6-C-carboxy-5,7-dideoxy-β-L-erythro-oct-4-enofuranuronosyl]- [ACD/Index Name]
griseolic acids b

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

Density: 2.1±0.1 g/cm3
Boiling Point: 889.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.4±3.0 kJ/mol
Flash Point: 491.6±37.1 °C
Index of Refraction: 1.904
Molar Refractivity: 79.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -4.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 115.0±7.0 dyne/cm
Molar Volume: 170.3±7.0 cm3

Click to predict properties on the Chemicalize site


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