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Search term: 9040310 (Found by CSID)
ChemSpider 2D Image | guineamide A | C31H43N5O6S

guineamide A

  • Molecular FormulaC31H43N5O6S
  • Average mass613.768 Da
  • Monoisotopic mass613.293396 Da
  • ChemSpider ID9040310

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,5S,8S,11S,14S,15R)-5-Benzyl-15-ethyl-8-isopropyl-2,6,9,11,14-pentamethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),18-dien-4,7,10,13,17-penton [German] [ACD/IUPAC Name]
(2S,5S,8S,11S,14S,15R)-5-Benzyl-15-ethyl-8-isopropyl-2,6,9,11,14-pentamethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone [ACD/IUPAC Name]
(2S,5S,8S,11S,14S,15R)-5-Benzyl-15-éthyl-8-isopropyl-2,6,9,11,14-pentaméthyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]hénicosa-1(21),18-diène-4,7,10,13,17-pentone [French] [ACD/IUPAC Name]
12-Oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]heneicosa-1(21),18-diene-4,7,10,13,17-pentone, 15-ethyl-2,6,9,11,14-pentamethyl-8-(1-methylethyl)-5-(phenylmethyl)-, (2S,5S,8S,11S,14S,15R)- [ACD/Index Name]
guineamide A
(2S,5S,8S,11S,14S,15R)-5-benzyl-15-ethyl-2,6,9,11,14-pentamethyl-8-(propan-2-yl)-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL510830/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 898.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.7±3.0 kJ/mol
Flash Point: 497.3±34.3 °C
Index of Refraction: 1.510
Molar Refractivity: 163.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.79
ACD/KOC (pH 5.5): 273.17
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.79
ACD/KOC (pH 7.4): 273.17
Polar Surface Area: 166 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 547.5±3.0 cm3

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