ChemSpider 2D Image | Guangomide B | C31H46N4O8

Guangomide B

  • Molecular FormulaC31H46N4O8
  • Average mass602.719 Da
  • Monoisotopic mass602.331543 Da
  • ChemSpider ID10167837

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,6S,9S,12R,15R,18S)-15-Benzyl-18-isobutyl-6-isopropyl-3,9,10,12,16-pentamethyl-1,7-dioxa-4,10,13,16-tetraazacyclooctadecan-2,5,8,11,14,17-hexon [German] [ACD/IUPAC Name]
(3S,6S,9S,12R,15R,18S)-15-Benzyl-18-isobutyl-6-isopropyl-3,9,10,12,16-pentamethyl-1,7-dioxa-4,10,13,16-tetraazacyclooctadecane-2,5,8,11,14,17-hexone [ACD/IUPAC Name]
(3S,6S,9S,12R,15R,18S)-15-Benzyl-18-isobutyl-6-isopropyl-3,9,10,12,16-pentaméthyl-1,7-dioxa-4,10,13,16-tétraazacyclooctadécane-2,5,8,11,14,17-hexone [French] [ACD/IUPAC Name]
1,7-Dioxa-4,10,13,16-tetraazacyclooctadecane-2,5,8,11,14,17-hexone, 3,9,10,12,16-pentamethyl-6-(1-methylethyl)-18-(2-methylpropyl)-15-(phenylmethyl)-, (3S,6S,9S,12R,15R,18S)- [ACD/Index Name]
Guangomide B
spicellamide A
(3S,6S,9S,12R,15R,18S)-15-benzyl-3,9,10,12,16-pentamethyl-18-(2-methylpropyl)-6-(propan-2-yl)-1,7-dioxa-4,10,13,16-tetraazacyclooctadecane-2,5,8,11,14,17-hexone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL508223/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 900.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±3.0 kJ/mol
Flash Point: 498.6±34.3 °C
Index of Refraction: 1.481
Molar Refractivity: 158.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.01
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.80
ACD/KOC (pH 5.5): 52.95
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.80
ACD/KOC (pH 7.4): 52.94
Polar Surface Area: 151 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 555.9±3.0 cm3

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