7-Hexyloxy-7-demethoxymitomycin A

[(7R,8S)-11-hexoxy-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

CAS: 56981-78-3

Molecular Formula	`C21H29N3O6`
Molecular Weight	419.5 g/mol
LogP	2.6
Topological Polar Surface Area	130.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	419.20563
Heavy Atoms	30
Complexity	850.0

Chemical Identifiers

CAS Number	56981-78-3
SMILES	`CCCCCCOC1=C(C(=O)C2=C(C1=O)C(C3(N2CC4C3N4)OC)COC(=O)N)C`
InChIKey	`QUTHQTJGEPOWFZ-QHLODZMVSA-N`

📖 Product Overview

7-Hexyloxy-7-demethoxymitomycin A (CAS: 56981-78-3) is a chemical compound with molecular formula C21H29N3O6 and molecular weight 419.5 g/mol. Its IUPAC systematic name is [(7R,8S)-11-hexoxy-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate. LogP 2.6 Topological Polar Surface Area 130.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 10 Exact Mass 419.20563 Heavy Atoms 30 Complexity 850.0 InChI Key: QUTHQTJGEPOWFZ-QHLODZMVSA-N. SMILES: CCCCCCOC1=C(C(=O)C2=C(C1=O)C(C3(N2CC4C3N4)OC)COC(=O)N)C.

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