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Substance Name: Cyanomorpholinodaunomycin
RN: 89164-74-9
UNII: 2CY7BG9I45
InChIKey: HTTPDXWOJNATIS-SMVOTLQJSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C32-H34-N2-O11

Molecular Weight

  • 622.6236
 
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Names and Synonyms

Name of Substance

  • Cyanomorpholinodaunomycin

Synonyms

  • BRN 6040175
  • CCRIS 5079
  • Cyanomorpholinodaunomycin
  • UNII-2CY7BG9I45

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-(3-cyanomorpholino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 89164-74-9

FDA UNII

  • 2CY7BG9I45

Other Registry Number

  • 94730-47-9

System Generated Number

  • 0089164749

Structure Descriptors

InChI

1S/C32H34N2O11/c1-14-27(36)19(34-7-8-43-13-16(34)12-33)9-22(44-14)45-21-11-32(41,15(2)35)10-18-24(21)31(40)26-25(29(18)38)28(37)17-5-4-6-20(42-3)23(17)30(26)39/h4-6,14,16,19,21-22,27,36,38,40-41H,7-11,13H2,1-3H3/t14-,16+,19-,21-,22-,27+,32-/m0/s1

InChIKey

HTTPDXWOJNATIS-SMVOTLQJSA-N

Smiles

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@H]([C@H](O)[C@H](C)O5)N6CCOC[C@H]6C#N)c4c(O)c3C(=O)c12)C(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.59 (none)   EXP
Water Solubility 1.140 mg/L 25 EST
Vapor Pressure 3.39E-26 mm Hg 25 EST
Henry's Law Constant 1.96E-30 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.78E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.