ChemSpider 2D Image | (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-15,17-Dihydroxy-2-[(2-hydroxyethyl)amino]-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methyl-1-piperazinyl)imino]methyl}-6,23,27,29-tetraoxo-8 ,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl acetate | C45H61N5O12

(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-15,17-Dihydroxy-2-[(2-hydroxyethyl)amino]-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methyl-1-piperazinyl)imino]methyl}-6,23,27,29-tetraoxo-8 ,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl acetate

  • Molecular FormulaC45H61N5O12
  • Average mass863.992 Da
  • Monoisotopic mass863.431702 Da
  • ChemSpider ID28486216

  • 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,19E,21Z)-15,17-Dihydroxy-2-[(2-hydroxyethyl)amino]-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methyl-1-piperazinyl)imino]methyl}-6,23,27,29-tetraoxo-8 ;,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl acetate [ACD/IUPAC Name]
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-15,17-Dihydroxy-2-[(2-hydroxyethyl)amino]-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methyl-1-piperazinyl)imino]methyl}-6,23,27,29-tetraoxo-8 ;,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl-acetat [German] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone, 21-(acetyloxy)-17,19-dihydroxy-5-[(2-hydroxyethyl)amino]-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[(E)-[(4-methyl-1 -piperazinyl)imino]methyl]-, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)- [ACD/Index Name]
Acétate de (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-15,17-dihydroxy-2-[(2-hydroxyéthyl)amino]-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-26-{(E)-[(4-méthyl-1-pipérazinyl)imino]méthyl}-6,23,27,29 ;-tétraoxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaén-13-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 225.3±0.5 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.88
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 2.47
ACD/KOC (pH 7.4): 46.38
Polar Surface Area: 226 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 648.4±7.0 cm3

Click to predict properties on the Chemicalize site


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