Found 204 results

Search term: MF = 'C_{28}H_{31}N_{3}O_{8}'
ChemSpider 2D Image | Methyl {(8aR,11aS,11bR,11cS)-11c-benzyl-6-ethyl-1-[(2-methoxyethyl)imino]-3,5,9,11-tetraoxo-1,5,7,8,8a,9,11,11a,11b,11c-decahydro-10H-[1,3]oxazolo[4,3-a]pyrrolo[3,4-h]isoquinolin-10-yl}acetate | C28H31N3O8

Methyl {(8aR,11aS,11bR,11cS)-11c-benzyl-6-ethyl-1-[(2-methoxyethyl)imino]-3,5,9,11-tetraoxo-1,5,7,8,8a,9,11,11a,11b,11c-decahydro-10H-[1,3]oxazolo[4,3-a]pyrrolo[3,4-h]isoquinolin-10-yl}acetate

  • Molecular FormulaC28H31N3O8
  • Average mass537.561 Da
  • Monoisotopic mass537.211121 Da
  • ChemSpider ID10123290

  • 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

{(8aR,11aS,11bR,11cS)-11c-Benzyl-6-éthyl-1-[(2-méthoxyéthyl)imino]-3,5,9,11-tétraoxo-1,5,7,8,8a,9,11,11a,11b,11c-décahydro-10H-[1,3]oxazolo[4,3-a]pyrrolo[3,4-h]isoquinoléin-10-yl}acétate de méthyle [French] [ACD/IUPAC Name]
3H,10H-Oxazolo[4,3-a]pyrrolo[3,4-h]isoquinoline-10-acetic acid, 6-ethyl-1,5,7,8,8a,9,11,11a,11b,11c-decahydro-1-[(2-methoxyethyl)imino]-3,5,9,11-tetraoxo-11c-(phenylmethyl)-, methyl ester, (8aR,11aS,1 1bR,11cS)- [ACD/Index Name]
Methyl {(8aR,11aS,11bR,11cS)-11c-benzyl-6-ethyl-1-[(2-methoxyethyl)imino]-3,5,9,11-tetraoxo-1,5,7,8,8a,9,11,11a,11b,11c-decahydro-10H-[1,3]oxazolo[4,3-a]pyrrolo[3,4-h]isoquinolin-10-yl}acetate [ACD/IUPAC Name]
Methyl-{(8aR,11aS,11bR,11cS)-11c-benzyl-6-ethyl-1-[(2-methoxyethyl)imino]-3,5,9,11-tetraoxo-1,5,7,8,8a,9,11,11a,11b,11c-decahydro-10H-[1,3]oxazolo[4,3-a]pyrrolo[3,4-h]isochinolin-10-yl}acetat [German] [ACD/IUPAC Name]

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

SDCCGMLS-0091715.P001 [DBID]
UPCMLD11APGC001120F2:001 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 686.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.9±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 138.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 312.30
ACD/KOC (pH 5.5): 2124.00
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 312.47
ACD/KOC (pH 7.4): 2125.14
Polar Surface Area: 132 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 375.0±7.0 cm3

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