ChemSpider 2D Image | (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S)-26-(Di-4-morpholinylamino)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]tri aconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate | C45H62N4O14

(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S)-26-(Di-4-morpholinylamino)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]tri aconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate

  • Molecular FormulaC45H62N4O14
  • Average mass882.992 Da
  • Monoisotopic mass882.426270 Da
  • ChemSpider ID4978100

  • 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,11S,12R,13S,14R,15R,16R,17S,18S)-26-(Di-4-morpholinylamino)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]tri aconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate [ACD/IUPAC Name]
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S)-26-(Di-4-morpholinylamino)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]tri aconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl-acetat [German] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,11(2H)-dione, 21-(acetyloxy)-8-(di-4-morpholinylamino)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, (2S,16S,17S,18 R,19R,20R,21S,22R,23S,24E)- [ACD/Index Name]
Acétate de (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S)-26-(di-4-morpholinylamino)-2,15,17,27,29-pentahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-6,23-dioxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7. 05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaén-13-yle [French] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,11(2H)-dione, 21-(acetyloxy)-8-[di(4-morpholinyl)amino]-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, (2S,16S,17S,18R,19R,20R,21S,22R,23S)-
Rifamycin der.

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

AIDS113944 [DBID]
AIDS-113944 [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: 1.650
Molar Refractivity: 231.3±0.4 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability: 91.7±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 634.1±5.0 cm3

Click to predict properties on the Chemicalize site


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