Basic information
- CAS
51064-65-4- Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@H]2OC(C)(C)O[C@@H]2COS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
KPFDKWNWYAXRNJ-WOJBJXKFSA-N- Molecular formula
- C21H26O8S2
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.10691013
Overview
See other relationships...
Names & identifiers
- Preferred name
- (4R-trans)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethyl bis(toluene-p-sulphonate)
- IUPAC
- [(4R,5R)-2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
- English name
- (+)-1,4-Di-O-tosyl-2,3-O-isopropylidene-D-threitol
- Molecular formula
- C21H26O8S2
- Molecular weight
- 470.56
Names & synonyms
51064-65-4(+)-1,4-Di-O-tosyl-2,3-O-isopropylidene-D-threitol((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate)(+)-2,3-O-Isopropylidene-1,4-di-O-tosyl-D-threitolMFCD00063235(4R-trans)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethyl bis(toluene-p-sulphonate)[(4R,5R)-2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonateDTXSID80199067(4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol 4,5-Bis(4-methylbenzenesulfonate)1,4-Di-O-tosyl-2,3-O-isopropylidene-D-threitol68224-53-3AS-74341
Show more names
(+)-1,4-Di-O-isopropylidene-D-threitol1,4-Ditosyl-2,3-O-isopropylidene-D-threitol2,3-ISOPROPYLIDENE-D-THREITOL 1,4-DITOSYLATE(+)-1,4-DI-O-TOSYL-2,3-O-ISOPROPYLIDENE-THREITOL2-O,3-O-Isopropylidene-D-threitol 1,4-ditosylate(+)-1,4-DI-O-TOSY-2,3-O-ISOPROPYLIDENE-D-THREITOL(+)-1.4-D1-0-TOSYL-2.3-0-SOPROPYLIDENE-D-THREITOL
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 714
Physicochemical properties
- Melting point
- 90 · 90-92 °C
- Boiling point
- 542.03 °C · 542.03°C (rough estimate)
- Density
- 1.3082 · 1.3082 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- Powder
- color
- white
- optical activity
- 20 · [α]20/D +12.1°, c = 8.8 in chloroform
- BRN
- 99611 · 99611
- Stability
- store cold
- InChI
- InChI=1/C21H26O8S2/c1-15-5-9-17(10-6-15)30(22,23)26-13-19-20(29-21(3,4)28-19)14-27-31(24,25)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3/t19-,20-/s3
- InChIKey
- KPFDKWNWYAXRNJ-XEBFJNFFNA-N
- SMILES
- [C@H]1(COS(=O)(=O)C2C=CC(C)=CC=2)OC(C)(C)O[C@@H]1COS(=O)(=O)C1C=CC(C)=CC=1 |&1:0,18,r|
- CAS DataBase Reference
- 51064 · 51064-65-4(CAS DataBase Reference)
- 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
- 3
- hs_code
- 29329900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers60 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
Related reactions
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Compound notes
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