ChemSpider 2D Image | (1S,9R,11S,12Z,14Z,19Z,22R)-9,11-Dihydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.1~4,7~]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione | C22H27N3O7S

(1S,9R,11S,12Z,14Z,19Z,22R)-9,11-Dihydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.14,7]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione

  • Molecular FormulaC22H27N3O7S
  • Average mass477.531 Da
  • Monoisotopic mass477.156982 Da
  • ChemSpider ID34521015

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,9R,11S,12Z,14Z,19Z,22R)-9,11-Dihydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.14,7]heptacosa-4,7(27),12,14,19-pentaen-3,18,24-trion [German] [ACD/IUPAC Name]
(1S,9R,11S,12Z,14Z,19Z,22R)-9,11-Dihydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.14,7]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione [ACD/IUPAC Name]
(1S,9R,11S,12Z,14Z,19Z,22R)-9,11-Dihydroxy-22-méthyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.14,7]heptacosa-4,7(27),12,14,19-pentaène-3,18,24-trione [French] [ACD/IUPAC Name]
6,23-Dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.14,7]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione, 9,11-dihydroxy-22-methyl-, (1S,9R,11S,12Z,14Z,19Z,22R)- [ACD/Index Name]
1393-90-4 [RN]
53216-90-3 [RN]
6,23-Dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.14,7]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione, 9,11-dihydroxy-22-methyl-, (1S,9R,11S,12Z,14Z,19Z,22R)-
griseoviridin
UNII:6PM4UNE85T

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

Density: 1.4±0.1 g/cm3
Boiling Point: 920.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.2±3.0 kJ/mol
Flash Point: 510.5±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.34
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.34
Polar Surface Area: 176 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 339.9±5.0 cm3

Click to predict properties on the Chemicalize site


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