Basic information
- CAS
1207459-15-1- Standard SMILES
CC(=O)OC1C[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](COC(=O)c2ccc(Cl)cc2)O1- InChIKey
XHRJNOXRTTZFEQ-PAMZHZACSA-N- Molecular formula
- C21H18Cl2O7
- Average molar mass
- 453.3 g/mol
- Monoisotopic mass
- 452.04295828
Names & identifiers
- Preferred name
- 1-O-Acetyl-3,5-bis(4-chlorobenzoyl)-2-deoxy-D-ribose
- IUPAC
- [(2R,3S)-5-acetyloxy-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate
- English name
- 1-O-Acetyl-3,5-bis-(4-chlorobenzoyl)-2-deoxy-D-ribose
- Molecular formula
- C21H18Cl2O7
- Molecular weight
- 453.27
Names & synonyms
1207459-15-11-O-Acetyl-3,5-bis(4-chlorobenzoyl)-2-deoxy-D-riboseVKX2Q75S7FD-Erythro-pentofuranose, 2-deoxy-, 1-acetate 3,5-bis(4-chlorobenzoate)1-O-Acetyl-3,5-bis-(4-chlorobenzoyl)-2-deoxy-D-ribose[(2R,3S)-5-acetyloxy-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate(2R,3S)-5-Acetoxy-2-(((4-chlorobenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-chlorobenzoate1-O-Acetyl-3,5-di-O-(4-chlorobenzoyl)-2'-deoxy-D-ribofuranoseC21H18Cl2O7(2R,3S)-5-(acetyloxy)-2-[(4-chlorobenzoyloxy)methyl]oxolan-3-yl 4-chlorobenzoateXHRJNOXRTTZFEQ-PAMZHZACSA-NUNII-VKX2Q75S7F
Show more names
Decitabine USP RC ADecitabine Impurity 51Decitabine USP Related Compound A1-O-Acetyl-3,5-bis-(4-chlorobenzoyl)-2-deoxy-DDecitabine USP Related Compound A (Mixture of Isomers)1-O-Acetyl-3,5-bis(4-chlorobenzoyl)-2-deoxy-D-ribofuranose2-Deoxy-D-erythro-pentofuranose 1-acetate 3,5-bis(4-chlorobenzoate)1-Acetate 3,5-Bis(4-chlorobenzoate)-2-deoxy-D-erythro-pentofuranose
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 612
Physicochemical properties
- Melting point
- 89 °C · >89°C (dec.)
- Boiling point
- 545.4 · 545.4±50.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
- form
- Solid
- color
- White to Off-White
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C21H18Cl2O7/c1-12(24)28-19-10-17(30-21(26)14-4-8-16(23)9-5-14)18(29-19)11-27-20(25)13-2-6-15(22)7-3-13/h2-9,17-19H,10-11H2,1H3/t17-,18+,19/m0/s1
- InChIKey
- XHRJNOXRTTZFEQ-PAMZHZACSA-N
- SMILES
- C1(OC(=O)C)O[C@H](COC(=O)C2=CC=C(Cl)C=C2)[C@@H](OC(=O)C2=CC=C(Cl)C=C2)C1
- FDA UNII
- 2 Q75S7F · VKX2Q75S7F
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
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
- wgk
- WGK 3
- hs_code
- 2940000080
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Aquatic Chronic 4
- Precautionary statements
- P280-P302+P352
Chemistry & industry
Applications
Uses1-O-Acetyl-3,5-bis(4-chlorobenzoyl)-2-deoxy-D-ribose is an intermediate of Decitabine (5-Aza-2’deoxy Cytidine) (A796950).
Suppliers59 total
INNOBIO PHARM CO.,LTD+86-15600141006 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
北京颖喏生物医药科技有限公司15600141006 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Related reactions
2 records
Compound notes
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