BIAdb LS-178516 2557

Revision as of 00:00, 15 January 2001 by Special:Contributions/ (Talk)

BIAdb LS-178516 2557
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	24847798
Chemical data
Formula	C₃₅H₄₁N₂O₁₃P
Mol. mass	728.679401
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

N/A

Unknown

*Molecular Weight

728.679401

*Exact Mass

728.234626

*Molecular Formula

C₃₅H₄₁N₂O₁₃P

*IUPAC NAME

N/A

*Canonical Smiles

CC(=O)NC1=CC=C(C=C1)O.CC(=O)OC1=CC=CC=C1C(=O)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.OP(=O)(O)O

*Isomeric Smiles

CC(=O)NC1=CC=C(C=C1)O.CC(=O)OC1=CC=CC=C1C(=O)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.OP(=O)(O)O

*XLogP

N/A

*Hydrogen bond donor

7

*Hydrogen bond acceptor

14

*Rotational Bond Count

5

*Topological Polar Surface Area

233