Basic information
- CAS
19768-89-9- Standard SMILES
Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1- InChIKey
ZDTFMPXQUSBYRL-FJFJXFQQSA-N- Molecular formula
- C10H14N6O4
- Average molar mass
- 282.26 g/mol
- Monoisotopic mass
- 282.10765293
Overview
structure
Names & identifiers
- Preferred name
- ara-DAP
- IUPAC
- (2R,3S,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- Aradapr
- Molecular formula
- C10H14N6O4
- Molecular weight
- 282.26
Names & synonyms
34079-68-02,6-Diaminopurine arabinosideAra-dap9H-Purine-2,6-diamine, 9-beta-D-arabinofuranosyl-RefChem:916090araDAP(2R,3S,4S,5R)-2-(2,6-Diamino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol19768-89-99-beta-D-Arabinofuranosyl-2,6-diaminopurinearaDAPRMFCD037881999H-Purine-2,6-diamine, 9-b-D-xylofuranosyl-
Show more names
Aids000249Aids-0002499-.beta.-D-Arabinofuranosyl-2,6-diaminopurine
(2R,3S,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol(2R,3S,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol2,6-Diamino-9-(b-D-arabinofuranosyl)purinesra-DAP(2R,3S,4S,5R)-2-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol9-beta-D-Arabinofuranosyl-9H-purine-2,6-diamine; 2,6-Diamino-9-beta-D-arabinofuranosylpurine; 9-beta-D-Arabinofuranosyl-2,6-diaminopurine2,6-Diamino-9 beta-arabinofuranosylpurineRegadenoson Impurity 83
Database identifiers
- CAS
19768-89-9、34079-68-0
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 160 · 160-163 °C
- Boiling point
- 798.491 · 798.491±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 2.259 · 2.259±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.101 · 13.101±0.70(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Suppliers61 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]
INNOBIO PHARM CO.,LTD+86-15600141006 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海华恩医药科技有限公司+86-13681955282 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
上海瑶玥生物科技有限公司18744021595 18221004621 · [email protected]
北京颖喏生物医药科技有限公司15600141006 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Aladdin Scientific[email protected]
湖南瑞威尔生物科技有限公司18627957289 18173226957 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
Related reactions
2 records
Compound notes
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