[4-(7-Aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
Basic information
- CAS
53458-42-7- Standard SMILES
COc1ccc(C2OC3C(CO)OC(n4nnc5c(N)ncnc54)C3O2)cc1- InChIKey
LBKUIAAZYSRVJP-UHFFFAOYSA-N- Molecular formula
- C17H18N6O5
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.1338677
Names & identifiers
- Preferred name
- [4-(7-Aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
- IUPAC
- [4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
Names & synonyms
53458-42-7NSC176966[4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanolDTXSID40306497NSC-176966DS-0048253-{2,3-O-[(4-Methoxyphenyl)methylidene]pentofuranosyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine3H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDIN-7-AMINE,3-[2,3-O-[(4-METHOXYPHENYL)METHYLENE]-B-D-RIBOFURANOSYL]-
Database identifiers
- CAS
53458-42-7- PubChem CID
- 301035
- DTXSID
DTXSID40306497
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 552
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Related reactions
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Compound notes
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