Basic information
- CAS
21193-80-6- Standard SMILES
Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
ZWTPRQXZXQEKFT-IOSLPCCCSA-N- Molecular formula
- C11H13BrN4O4
- Average molar mass
- 345.15 g/mol
- Monoisotopic mass
- 344.01202
Names & identifiers
- Preferred name
- Bromotubercidin
- IUPAC
- (2R,3R,4S,5R)-2-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- bromotubercidin
- Molecular formula
- C11H13BrN4O4
- Molecular weight
- 345.15
Names & synonyms
21193-80-6Bromotubercidin5-BromotubericidinRefChem:1216525-Bromotubercidin(2r,3r,4s,5r)-2-(4-amino-5-bromo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolTubercidin, 5-bromo-MFCD221244345-Bromo-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amineCHEMBL62099(2R,3R,4S,5R)-2-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol5-?Bromotubercidin
Show more names
5-Bromo-Tubercidine7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-bromo-7-β-D-ribofuranosyl-4-Amino-5-bromo-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine5-broMo-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine(2R,3R,4S,5R)-2-(4-Amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol - [A89043]
NSC 1038025-bromo-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine5-Bromo-7-ss-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 5-bromo-7-beta-D-ribofuranosyl-(2R,3R,4S,5R)-2-(4-amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolC11H13BrN4O4NSC1038027H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-bromo-7-beta-D-ribofuranosyl-
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Melting point
- 232 °C · 232 °C(Solv: methanol (67-56-1))
- Boiling point
- 686.9 · 686.9±55.0 °C(Predicted)
- Density
- 2.26 · 2.26±0.1 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly,Sonicated)
- form
- Solid
- pka
- 12.32 · 12.32±0.70(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses5-Bromotubercidin is a reactant used in the glycosylation of pyrimidines in the synthesis of 7-deazapurine ribonucleosides.
Suppliers25 total
Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
Wuhu Nuowei chemistry Co., Ltd.+86-0553-2911116-802 +86-18055326116 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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