ChemSpider 2D Image | Guangomide A | C31H46N4O9

Guangomide A

  • Molecular FormulaC31H46N4O9
  • Average mass618.718 Da
  • Monoisotopic mass618.326477 Da
  • ChemSpider ID10167751

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3S,6S,9S,12R,15R,18S)-15-Benzyl-6-(2-hydroxy-2-propanyl)-18-isobutyl-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-6-(2-hydroxy-2-propanyl)-18-isobutyl-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-6-(2-hydroxy-2-propanyl)-18-isobutyl-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, 6-(1-hydroxy-1-methylethyl)-3,9,10,12,16-pentamethyl-18-(2-methylpropyl)-15-(phenylmethyl)-, (3S,6S,9S,12R,15R,18S)- [ACD/Index Name]
Guangomide A
spicellamide B
(3S,6S,9S,12R,15R,18S)-15-benzyl-6-(2-hydroxypropan-2-yl)-3,9,10,12,16-pentamethyl-18-(2-methylpropyl)-1,7-dioxa-4,10,13,16-tetraazacyclooctadecane-2,5,8,11,14,17-hexone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL450540/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 934.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.5±3.0 kJ/mol
Flash Point: 519.1±34.3 °C
Index of Refraction: 1.491
Molar Refractivity: 159.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.22
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 36.73
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 36.73
Polar Surface Area: 172 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 551.0±3.0 cm3

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