Basic information
- CAS
49558-38-5- Standard SMILES
Nc1ncnc2c1c(CO)cn2C1OC(CO)C(O)C1O- InChIKey
HVMYWBSUWVFUFB-UHFFFAOYSA-N- Molecular formula
- C12H16N4O5
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.11206962
Names & identifiers
- Preferred name
- 2-[4-Amino-5-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-[4-amino-5-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- 4-Amino-7-β-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-methanol
- Molecular formula
- C12H16N4O5
- Molecular weight
- 296.28
Names & synonyms
5-(hydroxymethyl)-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine2-[4-amino-5-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diolSCHEMBL6685798DTXSID80964257HVMYWBSUWVFUFB-UHFFFAOYSA-NNSC301731NSC-3017315-Hydroxymethyltubercidin5-Hydroxymethyltubericidin4-Amino-7-β-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-methanol7H-Pyrrolo[2,3-d]pyrimidine-5-methanol, 4-amino-7-β-D-ribofuranosyl-
Database identifiers
- CAS
49558-38-5- PubChem CID
- 99979
- DTXSID
DTXSID80964257
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Chemistry & industry
Suppliers2 total
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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