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ChemSpider 2D Image | (3S,4S)-3,6-Diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4R)-2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl]-6-[(carbamoylamino)methylene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadeca
n-15-yl]-4-hydroxyhexanamide | C25H43N13O10

(3S,4S)-3,6-Diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4R)-2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl]-6-[(carbamoylamino)methylene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadeca n-15-yl]-4-hydroxyhexanamide

  • Molecular FormulaC25H43N13O10
  • Average mass685.690 Da
  • Monoisotopic mass685.325562 Da
  • ChemSpider ID32820358
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres


More details:





Date of deprecation: 10:12, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(3S,4S)-3,6-Diamino-4-hydroxy-N-{(1E,3S,4E,6Z,7E,9S,10E,12S,13E,15S)-2,5,8,11,14-pentahydroxy-6-({[hydroxy(imino)methyl]amino}methylen)-9,12-bis(hydroxymethyl)-3-[(4R)-2-iminohexahydro-4-pyrimidinyl]- 1,4,7,10,13-pentaazacyclohexadeca-1,4,7,10,13-pentaen-15-yl}hexanimidsäure (non-preferred name) [German] [ACD/IUPAC Name]
(3S,4S)-3,6-Diamino-4-hydroxy-N-{(1E,3S,4E,6Z,7E,9S,10E,12S,13E,15S)-2,5,8,11,14-pentahydroxy-6-({[hydroxy(imino)methyl]amino}methylene)-9,12-bis(hydroxymethyl)-3-[(4R)-2-iminohexahydro-4-pyrimidinyl] -1,4,7,10,13-pentaazacyclohexadeca-1,4,7,10,13-pentaen-15-yl}hexanimidic acid (non-preferred name) [ACD/IUPAC Name]
(3S,4S)-3,6-Diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4R)-2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl]-6-[(carbamoylamino)methylen]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan -15-yl]-4-hydroxyhexanamid [German] [ACD/IUPAC Name]
(3S,4S)-3,6-Diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4R)-2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl]-6-[(carbamoylamino)methylene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadeca n-15-yl]-4-hydroxyhexanamide [ACD/IUPAC Name]
(3S,4S)-3,6-Diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4R)-2-amino-1,4,5,6-tétrahydro-4-pyrimidinyl]-6-[(carbamoylamino)méthylène]-9,12-bis(hydroxyméthyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadéca n-15-yl]-4-hydroxyhexanamide [French] [ACD/IUPAC Name]
Acide (3S,4S)-3,6-diamino-4-hydroxy-N-{(1E,3S,4E,6Z,7E,9S,10E,12S,13E,15S)-2,5,8,11,14-pentahydroxy-6-({[hydroxy(imino)méthyl]amino}méthylène)-9,12-bis(hydroxyméthyl)-3-[(4R)-2-iminohexahydro-4-pyrimi dinyl]-1,4,7,10,13-pentaazacyclohexadéca-1,4,7,10,13-pentaén-15-yl}hexanimidique (non-preferred name) [French] [ACD/IUPAC Name]
Enviomycin [INN] [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.762
Molar Refractivity: 156.3±0.5 cm3
#H bond acceptors: 23
#H bond donors: 19
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -10.59
ACD/LogD (pH 5.5): -15.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -14.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 393 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 91.8±7.0 dyne/cm
Molar Volume: 379.0±7.0 cm3

Click to predict properties on the Chemicalize site