Basic information
- CAS
6022-96-4- Standard SMILES
CC1(C)OC2OC(COC(=O)c3ccccc3)C(O)C2O1- InChIKey
WKRBIHIDJVMVGS-UHFFFAOYSA-N- Molecular formula
- C15H18O6
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.11033829
Names & identifiers
- Preferred name
- (6-Hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate
- IUPAC
- (6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate
- English name
- (4-hydroxy-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl)methyl benz oate
- Molecular formula
- C15H18O6
- Molecular weight
- 294.3
Names & synonyms
5-o-benzoyl-1,2-o-(1-methylethylidene)pentofuranose(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate6022-96-45-O-BENZOYL-1,2-O-ISOPROPYLIDENE-A-D-XYLOFURANOSE((3aS,5S,6R,6aS)-6-Hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate166411-39-8NSC84317NCIOpen2_0071296893-72-7SCHEMBL13871568DTXSID30975636WKRBIHIDJVMVGS-UHFFFAOYSA-N
Show more names
1,2-O-Isopropylidene-5-benzoate--alpha-D-ribofuranose1,2-Di-O-isopropylidene-5-O-benzoyl-alpha-D-ribofuranoseα-D-Ribofuranose, 1,2-O-(1-methylethylidene)-, 5-benzoate1,2-Di-O-isopropylidene-5-O-benzoyl-alpha-D-ribofuranoside(R)-5-O-Benzoyl-1,2-di-O-isopropylidene-alpha-D-xylofuranose(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate the latest price quotation
NSC21930NSC-21930NSC-84317NSC102633NSC127670AKOS023600040NSC-102633NSC-127670
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Melting point
- 81 · 81-82 °C(Solvent: Diethyl ether; Pentane)
- Boiling point
- 431.995 · 431.995±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.253 · 1.253±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.1 · 13.100±0.60(predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
Uses(R)-5-O-Benzoyl-1,2-di-O-isopropylidene-alpha-D-xylofuranose is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Upstream & downstream products
Downstream products
Suppliers26 total
南京百芙利科技有限责任公司25-25-58740604 15951658055 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
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武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
Nanjing Baifuli Technology Co., Ltd.+86-15335185688 · [email protected]
Related reactions
1 records
Compound notes
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