Basic information
- CAS
3257-73-6- Standard SMILES
Nc1ncnc2c1ncn2C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1- InChIKey
WRFWNCVDEVBPJK-UHFFFAOYSA-N- Molecular formula
- C31H31N5O4
- Average molar mass
- 537.6 g/mol
- Monoisotopic mass
- 537.23760449
Names & identifiers
- Preferred name
- ST51015156
- IUPAC
- 9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-amine
- English name
- 9-(2', 3', 5'-TRI-O-BENZYL-BETA-D-ARABINOFURANOSYL)-ADENINE
- Molecular formula
- C31H31N5O4
- Molecular weight
- 537.61
Names & synonyms
ST51015156DTXSID80293372RefChem:381801DTXCID902445123257-73-6NSC889639-(2,3,5-tri-o-benzylpentofuranosyl)-9h-purin-6-amine9-[(2R,3S,4R,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-yl]-9H-purin-6-amineWRFWNCVDEVBPJK-UHFFFAOYSA-NNSC-88963AKOS0243749979-.alpha.-[2,3,5-O-Tribenzyl-d-arabinosyl]adenine
Show more names
9-2-3-5-tri-O-benzyl-B-D-*arabinofuranosyl-adenin9-2-3-5-TRI-O-BENZYL-B-D-*ARABINOFURANOS YL-ADENINE9-(2',3',5'-tri-o-benzyl-β-d-arabinofuranosyl)adenine9H-Purin-6-amine, 9-[2,3,5-tris-O-(phenylmethyl)-β-D-arabinofuranosyl]-9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-amine[9-[3,4-bis(benzyloxy)-5-(benzyloxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amine9-((2R,3S,4R,5R)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)tetrahydrofuran-2-yl)-9H-purin-6-amine
9-(2-3-5-Tri-O-benzyl-beta-D-arabinofuranosyl)adenine9-(2',3',5'-Tri-O-benzyl-beta-D-arabinofuranosyl)adenine9-(2', 3', 5'-TRI-O-BENZYL-BETA-D-ARABINOFURANOSYL)-ADENINE9-{3,4-bis(phenylmethoxy)-5-[(phenylmethoxy)methyl]oxolan-2-yl}purine-6-ylamin e
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 745
Physicochemical properties
- Boiling point
- 740 · 740.0±70.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 3.82 · 3.82±0.10(Predicted)
- WGK Germany
- 3 · 3
- HS Code
- 29349990 · 29349990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29349990
Chemistry & industry
Suppliers9 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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