tert-butyl N-[9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropoxy]-6-methoxypurin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

HCID 19795202
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Basic information

Standard SMILES
CCOP(=O)(COC(COCc1ccccc1)COn1cnc2c(OC)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc21)OCC
InChIKey
BQZPJAFXIJPORR-UHFFFAOYSA-N
Molecular formula
C31H46N5O11P
Average molar mass
695.7 g/mol
Monoisotopic mass
695.2931443

Names & identifiers

Preferred name
tert-butyl N-[9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropoxy]-6-methoxypurin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
IUPAC
tert-butyl N-[9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropoxy]-6-methoxypurin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Names & synonyms

SCHEMBL9555754

Database identifiers

PubChem CID
19795202

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
172 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
14
Rotatable bonds
20
Heavy atoms
48

Related reactions

1 records
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Compound notes

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