ChemSpider 2D Image | (2S,5S)-2,5-Diamino-7-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]heptanoic acid | C16H25N7O5

(2S,5S)-2,5-Diamino-7-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]heptanoic acid

  • Molecular FormulaC16H25N7O5
  • Average mass395.414 Da
  • Monoisotopic mass395.191711 Da
  • ChemSpider ID58827058

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,5S)-2,5-Diamino-7-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]heptanoic acid [ACD/IUPAC Name]
(2S,5S)-2,5-Diamino-7-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]heptansäure [German] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-(7,10-diamino-5,6,7,8,9,10-hexadeoxy-D-glycero-α-L-talo-undecofuranuronosyl)- [ACD/Index Name]
Acide (2S,5S)-2,5-diamino-7-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]heptanoïque [French] [ACD/IUPAC Name]
Sinefungin [INN] [USAN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 779.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 425.3±35.7 °C
Index of Refraction: 1.803
Molar Refractivity: 92.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.09
ACD/LogD (pH 5.5): -4.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 90.6±7.0 dyne/cm
Molar Volume: 215.4±7.0 cm3

Click to predict properties on the Chemicalize site


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