Methyl 5-deoxy-2,3-O-isopropylidene-beta-D-ribofuranoside
Basic information
- CAS
23202-81-5- Standard SMILES
CO[C@@H]1O[C@H](C)[C@H]2OC(C)(C)O[C@@H]12- InChIKey
RNHBZJGMAYMLBE-WCTZXXKLSA-N- Molecular formula
- C9H16O4
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.10485899
Names & identifiers
- Preferred name
- Methyl 5-deoxy-2,3-O-isopropylidene-beta-D-ribofuranoside
- IUPAC
- (3aR,4R,6R,6aR)-4-methoxy-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
- English name
- Methyl-5-deoxy-2,3-O-isopropylidene-beta-D-ribofuranoside
- Molecular formula
- C9H16O4
- Molecular weight
- 188.22
Names & synonyms
23202-81-5Methyl 5-deoxy-2,3-O-isopropylidene-beta-D-ribofuranosideEINECS 245-485-1DTXSID20177783EC 245-485-1Methyl 5-deoxy-2,3-O-(1-methylethylidene)-beta-D-ribofuranosideRefChem:817046DTXCID80100274245-485-1MFCD08703329(3aR,4R,6R,6aR)-4-methoxy-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxolebeta-D-Ribofuranoside, methyl 5-deoxy-2,3-O-(1-methylethylidene)-
Show more names
CapecitabineImpurity34Capecitabine Impurity 395-Deoxy-2,3-O-isopropylidene-D-ribofuranoside1-O-Methyl-2,3-O-isopropylidene-5-Deoxy-β-D-Ribose1-O-Methyl-2,3-O-isopropylidene-5-Deoxy-beta-D-riboseMethyl-5-desoxy-2,3-O-isopropyliden-β-D-ribofuranosidMethyl-5-deoxy-2,3-O-isopropylidene-β-D-ribofuranoside
(3AR,4R,6r,6aR)-4-methoxy-2,2,6-trimethyltetrahydrofuro[3,4-d][1,3]dioxoleMethyl-5-deoxy-2,3-O-isopropylidene-beta-D-ribofuranosideMethyl-5-deoxy-2,3-O-isopropylidene-?-D-ribofuranosideMethyl 5-deoxy-2,3-O-isopropylidene-b-D-ribofuranosideB-D-RIBOFURANOSIDE,SCHEMBL3459775RNHBZJGMAYMLBE-WCTZXXKLSA-RNHBZJGMAYMLBE-WCTZXXKLSA-N
Database identifiers
- CAS
23202-81-5- PubChem CID
- 90028
- DTXSID
DTXSID20177783- EC Number
- 245-485-1
- Nikkaji
- J318.424B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 225.6 · 225.6±40.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- vapor pressure
- 23.49 · 23.49-34.88kPa at 20-25℃
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- LogP
- 1.177 · 1.177-1.259 at 25℃
- Surface tension
- 65.78 mN/m · 65.78mN/m at 1g/L and 20℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.
Not Classified
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Methyl 5-deoxy-2,3-O-isopropylidene-β-D-ribofuranoside (EC: 245-485-1)
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl-5-deoxy-2,3-O-isopropylidene-β-D-ribofuranoside is an impurity of Capecitabine(C175650) which is an antineoplastic agent. Capecitabine is a prodrug of Doxifluridine (D556750).
Upstream & downstream products
Downstream products
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Compound notes
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