ChemSpider 2D Image | (4Z,8S,11E,14S)-5-(2-Amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid | C25H24N6O14S

(4Z,8S,11E,14S)-5-(2-Amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid

  • Molecular FormulaC25H24N6O14S
  • Average mass664.555 Da
  • Monoisotopic mass664.107117 Da
  • ChemSpider ID35034934

  • 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

(4Z,8S,11E,14S)-5-(2-Amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-dien-2,12,14-tricarbonsäure [German] [ACD/IUPAC Name]
(4Z,8S,11E,14S)-5-(2-Amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid [ACD/IUPAC Name]
3,10-Dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, 5-(2-amino-4-thiazolyl)-14-(1,3-dihydro-5,6-dihydroxy-1,3-dioxo-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-, (4Z,8S,11E,14S)- [ACD/Index Name]
Acide (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-méthyl-6-oxo-3,10-dioxa-4,7,11-triazatétradéca-4,11-diène-2,12,14-tricarboxyliqu e [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.731
Molar Refractivity: 149.2±0.5 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.69
ACD/LogD (pH 5.5): -4.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 84.4±7.0 dyne/cm
Molar Volume: 373.3±7.0 cm3

Click to predict properties on the Chemicalize site


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