Basic information
- CAS
4148-16-7- Standard SMILES
CS(=O)(=O)OCCNCC(O)C(O)CNCCOS(C)(=O)=O- InChIKey
BYZJBHCTZJGJFV-UHFFFAOYSA-N- Molecular formula
- C10H24N2O8S2
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.09740808
Names & identifiers
- Preferred name
- 2-[[2,3-Dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate
- IUPAC
- 2-[[2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate
- English name
- Ritrosulfan
- Molecular formula
- C10H24N2O8S2
- Molecular weight
- 364.44
Names & synonyms
2-[[2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonateNSC1224021, 4-Di(mesyloxyethylamino)erythritolNS001205871, 4-Bis(2'-mesyloxyethylamino)-1,4-dideoxymesoerythritol1,4-Dideoxy-1, {4-bis[(2-hydroxyethyl)amino]erythritol} 1,4-dimethanesulfonate (ester)5,6-Dihydroxy-12,12-dioxido-11-oxa-12-thia-3,8-diazatridec-1-yl methanesulfonate3,14-Dioxa-2,15-dithia-6,11-diazahexadecane-8,9-diol, 2, 2,15,15-tetraoxide, (R*,S*)-Erythritol, {1,4-dideoxy-1,4-bis[(2-hydroxyethyl)amino]-,} 1, 4-dimethanesulfonate (ester), meso-LYCURIMRitrosulfan3,14-Dioxa-2,15-dithia-6,11-diazahexadecane-8,9-diol, 2,2,15,15-tetraoxide, (8R,9S)-rel-
Database identifiers
- CAS
4148-16-7- PubChem CID
- 20107
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Boiling point
- 337.5 °C · 337.5°C (rough estimate)
- Density
- 1.4506 · 1.4506 (rough estimate)
- refractive index
- 1.565 · 1.5650 (estimate)
- pka
- 13.65 · 13.650±0.20(predicted)
- FDA UNII
- 662 KX9 · YIY0662KX9
Chemistry & industry
Applications
UsesRitrosulfan is a member of the alkylating sugar alcohol. Ritrosulfan is a hydrolyzing alkylating agent with anti-tumor activity[1].
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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