Found 34 results

Search term: MF = 'C_{23}H_{35}N_{3}O_{8}S'
ChemSpider 2D Image | 2-{(1R,2S,3R,4S)-4-(3-Buten-1-yl)-2-[(2,6-dimethyl-5-nitro-4-pyrimidinyl)oxy]-3-[(methylsulfonyl)oxy]cyclopentyl}ethyl pivalate | C23H35N3O8S

2-{(1R,2S,3R,4S)-4-(3-Buten-1-yl)-2-[(2,6-dimethyl-5-nitro-4-pyrimidinyl)oxy]-3-[(methylsulfonyl)oxy]cyclopentyl}ethyl pivalate

  • Molecular FormulaC23H35N3O8S
  • Average mass513.604 Da
  • Monoisotopic mass513.214478 Da
  • ChemSpider ID9039455

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-{(1R,2S,3R,4S)-4-(3-Buten-1-yl)-2-[(2,6-dimethyl-5-nitro-4-pyrimidinyl)oxy]-3-[(methylsulfonyl)oxy]cyclopentyl}ethyl pivalate [ACD/IUPAC Name]
2-{(1R,2S,3R,4S)-4-(3-Buten-1-yl)-2-[(2,6-dimethyl-5-nitro-4-pyrimidinyl)oxy]-3-[(methylsulfonyl)oxy]cyclopentyl}ethylpivalat [German] [ACD/IUPAC Name]
Pivalate de 2-{(1R,2S,3R,4S)-4-(3-butén-1-yl)-2-[(2,6-diméthyl-5-nitro-4-pyrimidinyl)oxy]-3-[(méthylsulfonyl)oxy]cyclopentyl}éthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, 2-[(1R,2S,3R,4S)-4-(3-buten-1-yl)-2-[(2,6-dimethyl-5-nitro-4-pyrimidinyl)oxy]-3-[(methylsulfonyl)oxy]cyclopentyl]ethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 632.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.2±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1046.52
ACD/KOC (pH 5.5): 5048.14
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1046.54
ACD/KOC (pH 7.4): 5048.27
Polar Surface Area: 159 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 409.5±5.0 cm3

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