Methyl 2-[[3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoate
Basic information
- CAS
73404-47-4- Standard SMILES
COC(=O)C(Cc1ccccc1)NC(=O)C(COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O)NC(=O)OCc1ccccc1- InChIKey
JXCUXKHGKQCLAZ-UHFFFAOYSA-N- Molecular formula
- C35H43N3O14
- Average molar mass
- 729.7 g/mol
- Monoisotopic mass
- 729.27450305
Names & identifiers
- Preferred name
- Methyl 2-[[3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoate
- IUPAC
- methyl 2-[[3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoate
Names & synonyms
73404-47-4methyl 2-[[3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoateNSC173942DTXSID80306057NSC-173942Methyl 2-[3-({3-acetamido-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl}oxy)-2-{[(benzyloxy)carbonyl]amino}propanamido]-3-phenylpropanoate
Database identifiers
- CAS
73404-47-4- PubChem CID
- 299945
- DTXSID
DTXSID80306057
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 21
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,240
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Compound notes
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