5'-O-(((2-decanoyl-amino-3-hydroxy-3-phenylpropyloxycarbonyl)amino)sulfonyl)-2',3'-O-isopropylideneuridine
Basic information
- CAS
149992-49-4- Standard SMILES
CCCCCCCCCC(=O)N[C@@H](COC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C2OC(C)(C)OC21)Cc1ccccc1- InChIKey
ATMPZEPXNCVMKT-XNVIYQHFSA-N- Molecular formula
- C32H46N4O11S
- Average molar mass
- 694.8 g/mol
- Monoisotopic mass
- 694.28837947
Overview
RN refers to (R)-isomer; structure given in first source
Names & identifiers
- Preferred name
- 5'-O-(((2-decanoyl-amino-3-hydroxy-3-phenylpropyloxycarbonyl)amino)sulfonyl)-2',3'-O-isopropylideneuridine
- IUPAC
- [(2R)-2-(decanoylamino)-3-phenylpropyl] N-[[(4R,6R)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxysulfonyl]carbamate
- English name
- 5'-O-(((2-decanoyl-amino-3-hydroxy-3-phenylpropyloxycarbonyl)amino)sulfonyl)-2',3'-O-isopropylideneuridine
- Molecular formula
- C32H46N4O11S
- Molecular weight
- 694.79
Names & synonyms
DHPASIU149992-49-45'-O-(((2-Decanoyl-amino-3-hydroxy-3-phenylpropyloxycarbonyl)amino)sulfonyl)-2',3'-O-isopropylideneuridineRefChem:100836DTXSID709338364-Hydroxy-1-{5-O-[(hydroxy{(2R)-2-[(1-hydroxydecylidene)amino]-3-phenylpropoxy}methylidene)sulfamoyl]-2,3-O-(1-methylethylidene)-beta-D-glycero-pentofuranosyl}pyrimidin-2(1H)-one4-Hydroxy-1-{5-O-[(hydroxy{2-[(1-hydroxydecylidene)amino]-3-phenylpropoxy}methylidene)sulfamoyl]-2,3-O-(1-methylethylidene)pentofuranosyl}pyrimidin-2(1H)-oneUridine, 2',3'-O-(1-methylethylidene)-, 5'-[[[(2R)-2-[(1-oxodecyl)amino]-3-phenylpropoxy]carbonyl]sulfamate] (9CI)
Database identifiers
- CAS
149992-49-4- PubChem CID
- 197602
- DTXSID
DTXSID70933836
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 19
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,250
Physicochemical properties
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 2.25 · 2.25±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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