Basic information
- CAS
4546-68-3- Standard SMILES
OC[C@H]1O[C@@H](n2cnc3cncnc32)C[C@@H]1O- InChIKey
WJBNIBFTNGZFBW-DJLDLDEBSA-N- Molecular formula
- C10H12N4O3
- Average molar mass
- 236.23 g/mol
- Monoisotopic mass
- 236.09094026
Overview
2'-deoxynebularine is a purine 2'-deoxyribonucleoside in which a 2-deoxy-beta-D-ribofuranosyl residue is attached at position 9 of 9H-purine via a glycosidic linkage. It is a purines 2'-deoxy-D-ribonucleoside and a purine 2'-deoxyribonucleoside.
Names & identifiers
- Preferred name
- 2'-Deoxynebularine
- IUPAC
- (2R,3S,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
- English name
- 2'-deoxynebularine
- Molecular formula
- C10H12N4O3
- Molecular weight
- 236.23
Names & synonyms
2'-Deoxynebularine4546-68-39-(beta-D-2'-Deoxyribofuranosyl)purineCHEBI:728109-(2-deoxy-beta-D-erythro-pentofuranosyl)-9H-purineRefChem:908424(2R,3S,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol6-deamino-2'-deoxyadenosine9-(2-deoxy-beta-D-ribofuranosyl)-9H-purine2'-deoxy-N-beta-D-ribosylpurineN-(beta-D-2'-deoxyribosyl)purine9H-Purine, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-
Show more names
2’-Deoxynebularine,2’-Deoxynebularine, 6-deamino-2’-deoxy adenosine9H-Purine, 9-(2-deoxy-β-D-erythro-pentofuranosyl)-(2R,3S,5R)-2-(Hydroxymethyl)-5-(9H-purin-9-yl)tetrahydrofuran-3-ol - [H89063]4-7H-Chloro-5-Iodo-7-(2-C-Methyl-Beta-D-Ribofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidin-2-Amine
(2R,3S,5R)-2-(Hydroxymethyl)-5-(9H-purin-9-yl)tetrahydrofuran-3-ol2'-Deoxynebularine,NSC 108611Purine deoxyribonucleoside2'-deoxy-N-D-ribosylpurinePurine 2'-deoxyribonucleosideSCHEMBL21625243MFCD00672292
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 542.7 · 542.7±60.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 13.8 · 13.80±0.60(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [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+86-0571-86912261 +86-15658003402 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
郑州诺科赛德生物科技有限公司15981919713 15981919713 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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