Methyl 2-[[3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
Basic information
- CAS
73404-46-3- Standard SMILES
COC(=O)C(C)NC(=O)C(COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O)NC(=O)OCc1ccccc1- InChIKey
XTKFGZSRVVGPTA-UHFFFAOYSA-N- Molecular formula
- C29H39N3O14
- Average molar mass
- 653.6 g/mol
- Monoisotopic mass
- 653.24320293
Names & identifiers
- Preferred name
- Methyl 2-[[3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
- IUPAC
- methyl 2-[[3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
Names & synonyms
73404-46-3methyl 2-[[3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoateNSC173940DTXSID20306056NSC-173940Methyl 2-[3-({3-acetamido-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl}oxy)-2-{[(benzyloxy)carbonyl]amino}propanamido]propanoate
Database identifiers
- CAS
73404-46-3- PubChem CID
- 299944
- DTXSID
DTXSID20306056
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 19
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,100
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Compound notes
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