methyl 4-[(3aR,4R,6R,6aR)-6-({[bis(benzyloxy)phosphoryl]oxy}methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-3,4-dihydro-2-pyrazinecarboxylate

HCID 69759751
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Basic information

Standard SMILES
COC(=O)c1nccn([C@@H]2O[C@H](COP(=O)(OCc3ccccc3)OCc3ccccc3)[C@H]3OC(C)(C)O[C@H]32)c1=O
InChIKey
OZZIMYMDKRTHRV-IGGXFAESSA-N
Molecular formula
C28H31N2O10P
Average molar mass
586.5 g/mol
Monoisotopic mass
586.17163219

Names & identifiers

Preferred name
methyl 4-[(3aR,4R,6R,6aR)-6-({[bis(benzyloxy)phosphoryl]oxy}methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-3,4-dihydro-2-pyrazinecarboxylate
IUPAC
methyl 4-[(3aR,4R,6R,6aR)-6-[bis(phenylmethoxy)phosphoryloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxopyrazine-2-carboxylate

Names & synonyms

SCHEMBL6380191OZZIMYMDKRTHRV-IGGXFAESSA-Nmethyl 4-[(3aR,4R,6R,6aR)-6-({[bis(benzyloxy)phosphoryl]oxy}methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-3,4-dihydro-2-pyrazinecarboxylate

Database identifiers

PubChem CID
69759751

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
131 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
12
Heavy atoms
41

Related reactions

1 records
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Compound notes

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