ChemSpider 2D Image | bound form 7-alkylidenecephalosporin dcm-1-10 | C16H21NO9S

bound form 7-alkylidenecephalosporin dcm-1-10

  • Molecular FormulaC16H21NO9S
  • Average mass403.404 Da
  • Monoisotopic mass403.093689 Da
  • ChemSpider ID35033683

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3Z,5Z,7S,8R)-3-(Acetoxymethyl)-7-formyl-8-{[(2-methyl-2-propanyl)oxy]carbonyl}-7,8-dihydro-2H-1,5-thiazocin-4-carbonsäure-1,1-dioxid [German] [ACD/IUPAC Name]
(3Z,5Z,7S,8R)-3-(Acetoxymethyl)-7-formyl-8-{[(2-methyl-2-propanyl)oxy]carbonyl}-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide [ACD/IUPAC Name]
2H-1,5-Thiazocine-2,6-dicarboxylic acid, 7-[(acetyloxy)methyl]-3-formyl-3,8-dihydro-, 2-(1,1-dimethylethyl) ester, 1,1-dioxide, (2R,3S,4Z,6Z)- [ACD/Index Name]
Acide (3Z,5Z,7S,8R) 1,1-dioxyde de 3-(acétoxyméthyl)-7-formyl-8-{[(2-méthyl-2-propanyl)oxy]carbonyl}-7,8-dihydro-2H-1,5-thiazocine-4-carboxylique [French] [ACD/IUPAC Name]
bound form 7-alkylidenecephalosporin dcm-1-10

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

Density: 1.4±0.1 g/cm3
Boiling Point: 640.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±6.0 kJ/mol
Flash Point: 340.9±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.02
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 287.9±7.0 cm3

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