Basic information
- CAS
13276-53-4- Standard SMILES
Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@@H](CO)O1- InChIKey
OLXZPDWKRNYJJZ-FSDSQADBSA-N- Molecular formula
- C10H13N5O3
- Average molar mass
- 251.24 g/mol
- Monoisotopic mass
- 251.10183929
Overview
(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol has been reported in Glycine max, Escherichia coli, and Phaseolus vulgaris with data available.
Names & identifiers
- Preferred name
- 1-(2'-Deoxy-beta-threopentofuranosyl)adenine
- IUPAC
- (2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
- English name
- 1-(2'-deoxy-beta-threopentofuranosyl)adenine
- Molecular formula
- C10H13N5O3
- Molecular weight
- 251.25
Names & synonyms
13276-53-41-Dpfa1-(2'-Deoxy-beta-D-threopentofuranosyl)adenine1-(2'-Deoxy-beta-threopentofuranosyl)adenineRefChem:73937(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol1-(2/'-deoxy-beta-threopentofuranosyl)adeninedesoxyadenosin9-(2-deoxy-beta-d-threo-pentofuranosyl)adenine2'-dA threo(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol2'Deoxyadenosine B-D-threo
Show more names
9-(2'-Deoxy-b-D-xylofuranosyl)adenine9-(2-deoxy-β-D-threo-pentofuranosyl)adenine9-(2-Deoxy-β-D-threo-pentofuranosyl)-9H- purin-6-amine9H-Purin-6-amine, 9-(2-deoxy-β-D-threo-pentofuranosyl)-
CHEMBL51328SCHEMBL887468SCHEMBL29381402EBC-13455NSC 100793PD171634F903349-(2'-deoxy-beta-D-threo-ribofuranosyl)-adenine
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 627.2 · 627.2±65.0 °C(Predicted)
- Density
- 1.91 · 1.91±0.1 g/cm3(Predicted)
- pka
- 13.79 · 13.79±0.60(Predicted)
Chemistry & industry
Applications
Uses9-(2-Deoxy-β-D-threo-pentofuranosyl)-9H-purin-6-amine is an adenosine analog. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. Its popular products are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].
Upstream & downstream products
Downstream products
Suppliers11 total
Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
郑州诺科赛德生物科技有限公司15981919713 15981919713 · [email protected]
郑州格然林科技有限公司0371-85513397 +86-18610099868 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司
Related reactions
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Compound notes
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