ChemSpider 2D Image | ARGININE-N-METHYLCARBONYL PHOSPHORIC ACID 5'-ADENOSINE ESTER | C18H28N9O10P

ARGININE-N-METHYLCARBONYL PHOSPHORIC ACID 5'-ADENOSINE ESTER

  • Molecular FormulaC18H28N9O10P
  • Average mass561.443 Da
  • Monoisotopic mass561.169678 Da
  • ChemSpider ID394300
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(3R,8S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-8-{3-[(diaminomethylen)amino]propyl}-3-hydroxy-5-oxo-2,4-dioxa-7-aza-3-phosphanonan-9-säure-3-oxid (non-preferred name) [German] [ACD/IUPAC Name]
(3R,8S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-8-{3-[(diaminomethylene)amino]propyl}-3-hydroxy-5-oxo-2,4-dioxa-7-aza-3-phosphanonan-9-oic acid 3-oxide (non-prefe rred name) [ACD/IUPAC Name]
Acide (3R,8S) 3-oxyde de 1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]-8-{3-[(diaminométhylène)amino]propyl}-3-hydroxy-5-oxo-2,4-dioxa-7-aza-3-phosphanonan-9-oïque (non -preferred name) [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(R)-[[2-[[(1S)-1-carboxy-4-[(diaminomethylene)amino]butyl]amino]acetyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
ARGININE-N-METHYLCARBONYL PHOSPHORIC ACID 5'-ADENOSINE ESTER
IOT

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 949.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 528.2±37.1 °C
Index of Refraction: 1.794
Molar Refractivity: 119.8±0.5 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -2.04
ACD/LogD (pH 5.5): -5.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 316 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 108.2±7.0 dyne/cm
Molar Volume: 281.8±7.0 cm3

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