ChemSpider 2D Image | Rifaximin | C43H51N3O11

Rifaximin

  • Molecular FormulaC43H51N3O11
  • Average mass785.878 Da
  • Monoisotopic mass785.352356 Da
  • ChemSpider ID17340061

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(7S,9E,11R,12R,13R,14R,15R,16R,17R,18R,19E,21Z)-2,15,17,36-Tétrahydroxy-11-méthoxy-3,7,12,14,16,18,22,30-octaméthyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027, 32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undécaène-13-carboxylate de méthyle [French] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)furo[2'',3'':7',8']naphth[1',2':4,5]imidazo[1,2-a]pyridine-25-carboxylic acid, 1,2-dihydro-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1, 15-dioxo-, methyl ester, (2S,16Z,18E,20R,21R,22R,23R,24R,25R,26R,27R,28E)- [ACD/Index Name]
4-DEOXY-4'-METHYLPYRIDO[1',2'-1,2]IMIDAZO[5,4-C]RIFAMYCIN SV
80621-81-4 [RN]
KD1576000
Methyl (7S,9E,11R,12R,13R,14R,15R,16R,17R,18R,19E,21Z)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34 .027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaene-13-carboxylate [ACD/IUPAC Name]
Methyl-(7S,9E,11R,12R,13R,14R,15R,16R,17R,18R,19E,21Z)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34 .027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-carboxylat [German] [ACD/IUPAC Name]
MFCD00864973 [MDL number]
Rifacol [Trade name]
Rifaximin [INN] [USAN] [Wiki]
More...

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

33999_RIEDEL [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 205.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 8.60
ACD/KOC (pH 5.5): 48.61
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.00
Polar Surface Area: 198 Å2
Polarizability: 81.5±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 575.3±7.0 cm3

Click to predict properties on the Chemicalize site


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