Found 43 results

Search term: MF = 'C_{11}H_{18}N_{5}O_{12}P_{3}'
ChemSpider 2D Image | (6Z)-9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-erythro-pentofuranosyl]-3-methyl-3,9-dihydro-6H-purin-6-imine | C11H18N5O12P3

(6Z)-9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-erythro-pentofuranosyl]-3-methyl-3,9-dihydro-6H-purin-6-imine

  • Molecular FormulaC11H18N5O12P3
  • Average mass505.208 Da
  • Monoisotopic mass505.016479 Da
  • ChemSpider ID139421

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(6Z)-9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-erythro-pentofuranosyl]-3-methyl-3,9-dihydro-6H-purin-6-imine [ACD/IUPAC Name]
(6Z)-9-[2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-erythro-pentofuranosyl]-3-methyl-3,9-dihydro-6H-purin-6-imin [German] [ACD/IUPAC Name]
(6Z)-9-[2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-érythro-pentofuranosyl]-3-méthyl-3,9-dihydro-6H-purin-6-imine [French] [ACD/IUPAC Name]
6H-Purin-6-imine, 9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-D-erythro-pentofuranosyl]-3,9-dihydro-3-methyl-, (6Z)- [ACD/Index Name]
84296-32-2 [RN]
Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-3,6-dihydro-3-methyl-

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

Density: 2.3±0.1 g/cm3
Boiling Point: 896.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.5±3.0 kJ/mol
Flash Point: 496.1±37.1 °C
Index of Refraction: 1.821
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -6.69
ACD/LogD (pH 5.5): -11.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 152.8±7.0 dyne/cm
Molar Volume: 216.4±7.0 cm3

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