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Dibenzyl 2-[[3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanedioate

HCID 425409
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Basic information

CAS
73404-48-5
Standard SMILES
CC(=O)NC1C(OCC(NC(=O)OCc2ccccc2)C(=O)NC(CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey
XONYHLXCOYSIAU-UHFFFAOYSA-N
Molecular formula
C43H49N3O16
Average molar mass
863.9 g/mol
Monoisotopic mass
863.31128248

Names & identifiers

Preferred name
Dibenzyl 2-[[3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanedioate
IUPAC
dibenzyl 2-[[3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanedioate

Names & synonyms

73404-48-5NSC173941DTXSID40329964NSC-173941Dibenzyl 2-[3-({3-acetamido-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl}oxy)-2-{[(benzyloxy)carbonyl]amino}propanamido]butanedioate

Database identifiers

CAS
73404-48-5
PubChem CID
425409
DTXSID
DTXSID40329964

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
246 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
16
Rotatable bonds
26
Heavy atoms
62
Formal charge
0
Complexity
1,510

Related reactions

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Compound notes

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