Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzyloxycarbonylmitomycin C
RN: 86476-06-4
InChIKey: CJIRVXBJPJZXCU-NEIQCHHRSA-N

Molecular Weight

  • 468.4636
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Benzyloxycarbonylmitomycin C

Synonym

  • Benzyloxycarbonylmitomycin C

Systematic Name

  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-1(2H)-carboxylic acid,6-amino-8-(((aminocarbonyl)oxy)methyl)-1a,4,7,8,8a,8b-hexahydro-8a-methoxy-5-methyl-4,7-dioxo-, phenylmethyl ester, (1aS-(1aalpha,8beta,8aalpha,8balpha))-

Registry Numbers

CAS Registry Number

  • 86476-06-4

System Generated Number

  • 0086476064

Structure Descriptors

InChI

1S/C23H24N4O7/c1-11-16(24)19(29)15-13(10-33-21(25)30)23(32-2)20-14(8-26(23)17(15)18(11)28)27(20)22(31)34-9-12-6-4-3-5-7-12/h3-7,13-14,20H,8-10,24H2,1-2H3,(H2,25,30)/t13-,14+,20+,23-,27?/m1/s1

InChIKey

CJIRVXBJPJZXCU-NEIQCHHRSA-N

Smiles

CO[C@@]12[C@H](COC(=O)N)C3=C(N1C[C@H]4[C@@H]2N4C(=O)OCc5ccccc5)C(=O)C(=C(N)C3=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.34 (none)   EXP
Water Solubility 832 mg/L 25 EST
Vapor Pressure 5.09E-13 mm Hg 25 EST
Henry's Law Constant 1.67E-24 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.76E-11 cm3/molecule-sec 25 EST

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