Found 11 results

Search term: MF = 'C_{31}H_{30}Br_{6}N_{4}O_{11}'
ChemSpider 2D Image | suberein-1 | C31H30Br6N4O11

suberein-1

  • Molecular FormulaC31H30Br6N4O11
  • Average mass1114.014 Da
  • Monoisotopic mass1107.701050 Da
  • ChemSpider ID103846973

  • 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

(5S,10R)-7,9-Dibrom-N-[(2R)-3-{2,6-dibrom-4-[(1S)-2-{[(2E)-3-(3,5-dibrom-2-hydroxy-4-methoxyphenyl)-2-(hydroxyimino)propanoyl]amino}-1-hydroxyethyl]phenoxy}-2-hydroxypropyl]-10-hydroxy-8-methoxy-1-oxa -2-azaspiro[4.5]deca-2,6,8-trien-3-carboxamid [German] [ACD/IUPAC Name]
(5S,10R)-7,9-Dibromo-N-[(2R)-3-{2,6-dibromo-4-[(1S)-2-{[(2E)-3-(3,5-dibromo-2-hydroxy-4-methoxyphenyl)-2-(hydroxyimino)propanoyl]amino}-1-hydroxyethyl]phenoxy}-2-hydroxypropyl]-10-hydroxy-8-methoxy-1- oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide [ACD/IUPAC Name]
(5S,10R)-7,9-Dibromo-N-[(2R)-3-{2,6-dibromo-4-[(1S)-2-{[(2E)-3-(3,5-dibromo-2-hydroxy-4-méthoxyphényl)-2-(hydroxyimino)propanoyl]amino}-1-hydroxyéthyl]phénoxy}-2-hydroxypropyl]-10-hydroxy-8-méthoxy-1- oxa-2-azaspiro[4.5]déca-2,6,8-triène-3-carboxamide [French] [ACD/IUPAC Name]
1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, 7,9-dibromo-N-[(2R)-3-[2,6-dibromo-4-[(1S)-2-[[(2E)-3-(3,5-dibromo-2-hydroxy-4-methoxyphenyl)-2-(hydroxyimino)-1-oxopropyl]amino]-1-hydroxyethyl]p henoxy]-2-hydroxypropyl]-10-hydroxy-8-methoxy-, (5S,10R)- [ACD/Index Name]
suberein-1

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.715
Molar Refractivity: 204.5±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8278.50
ACD/KOC (pH 5.5): 21953.40
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 2215.28
ACD/KOC (pH 7.4): 5874.61
Polar Surface Area: 221 Å2
Polarizability: 81.1±0.5 10-24cm3
Surface Tension: 66.8±7.0 dyne/cm
Molar Volume: 520.7±7.0 cm3

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