Basic information
- CAS
2004-06-0- Standard SMILES
OCC1OC(n2cnc3c(Cl)ncnc32)C(O)C1O- InChIKey
XHRJGHCQQPETRH-UHFFFAOYSA-N- Molecular formula
- C10H11ClN4O4
- Average molar mass
- 286.67 g/mol
- Monoisotopic mass
- 286.0468825
Names & identifiers
- Preferred name
- 6-Chloropurine ribonucleoside
- IUPAC
- 2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- 6-Chloro-9-(beta-D-arabinofuranosyl)purine
- Molecular formula
- C10H11ClN4O4
- Molecular weight
- 286.67174
Names & synonyms
6-Chloropurine ribonucleoside2004-06-02-(6-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol6-Chloropurinosine6-Chloro-9-(beta-D-arabinofuranosyl)purine7596-60-31445875-46-6NSC49106-Chloronebularine2-(6-chloropurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol9H-Purine, 6-chloro-9-.beta.-D-ribofuranosyl-NSC 4910
Show more names
9-(β-D-Arabinofuranosyl)-6-chloropurine9-b-D-arabinofuranosyl-6-chloro-9H-Purine9H-Purine, 9-β-D-arabinofuranosyl-6-chloro-(2R,3S,4S,5R)-2-(6-Chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
NSC-49106-Chloropurine-9-b-D-ribofuranoside2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolOprea1_484948SCHEMBL1858029DTXSID30862810(2R,3S,4S,5R)-2-(6-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol6-chloro-9-pentofuranosyl-9H-purine
Database identifiers
- CAS
2004-06-0、5399-87-1、7596-60-3
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 614.8 · 614.8±65.0 °C(Predicted)
- Density
- 2.03 · 2.03
- storage temp.
- 2 · 2-8°C
- pka
- 13.06 · 13.06±0.70(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
医恩医疗系统研发(上海)有限公司021-58958002 18930822973 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
7 records
Compound notes
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