Basic information
- CAS
129491-64-1- Standard SMILES
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C- InChIKey
XEFORNHNQOHGSE-MOUTVQLLSA-N- Molecular formula
- C28H40N2O6
- Average molar mass
- 500.6 g/mol
- Monoisotopic mass
- 500.288637
Names & identifiers
- Preferred name
- L-Mannitol, 1,2,5,6-tetradeoxy-2,5-bis(((1,1-dimethylethoxy)carbonyl)amino)-1,6-diphenyl-
- IUPAC
- tert-butyl N-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,6-diphenylhexan-2-yl]carbamate
- English name
- di-tert-butyl ((2S,3S,4S,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl)dicarbamate(WXG01043)
- Molecular formula
- C28H40N2O6
- Molecular weight
- 500.63
Names & synonyms
L-Mannitol, 1,2,5,6-tetradeoxy-2,5-bis(((1,1-dimethylethoxy)carbonyl)amino)-1,6-diphenyl-(3S,4S)-N,N'-(t-Butyloxycarbonyl)-2,5-diamino-3,4-dihydroxy-1,6-diphenylhexane129491-64-1SCHEMBL6446779di-tert-butyl ((2S,3S,4S,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl)dicarbamateL-Mannitol, 1,2,5,6-tetradeoxy-2,5-bis[[(1,1-dimethylethoxy)carbonyl]amino]-1,6-diphenyl-di-tert-butyl ((2S,3S,4S,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl)dicarbamate(WXG01043)
Database identifiers
- CAS
129491-64-1- PubChem CID
- 452452
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 617
Physicochemical properties
- Melting point
- 181 · 181-185 °C
- Boiling point
- 680.3 · 680.3±55.0 °C(Predicted)
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- pka
- 11.69 · 11.69±0.46(Predicted)
Chemistry & industry
Suppliers4 total
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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