bucladesine

[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate

CAS: 362-74-3

Molecular Formula	`C18H24N5O8P`
Molecular Weight	469.4 g/mol
LogP	-0.5
Topological Polar Surface Area	164.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	469.13626
Heavy Atoms	32
Complexity	759.0

Chemical Identifiers

CAS Number	362-74-3
SMILES	`CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)O)OC(=O)CCC`
InChIKey	`CJGYSWNGNKCJSB-YVLZZHOMSA-N`

📖 Product Overview

bucladesine (CAS: 362-74-3) is a chemical compound with molecular formula C18H24N5O8P and molecular weight 469.4 g/mol. Its IUPAC systematic name is [(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate. LogP -0.5 Topological Polar Surface Area 164.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 11 Rotatable Bonds 8 Exact Mass 469.13626 Heavy Atoms 32 Complexity 759.0 InChI Key: CJGYSWNGNKCJSB-YVLZZHOMSA-N. SMILES: CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)O)OC(=O)CCC.

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