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benzyl N-[(3S)-2,6-dioxooxan-3-yl]carbamate

HCID 226563
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
4124-76-9
Standard SMILES
O=C1CC[C@H](NC(=O)OCc2ccccc2)C(=O)O1
InChIKey
YIXAMRRMFCPXNC-JTQLQIEISA-N
Molecular formula
C13H13NO5
Average molar mass
263.25 g/mol
Monoisotopic mass
263.07937252

Overview

See also: N-benzyloxycarbonyl-L-glutamic anhydride (annotation moved to).

Names & identifiers

Preferred name
benzyl N-[(3S)-2,6-dioxooxan-3-yl]carbamate
IUPAC
benzyl N-[(3S)-2,6-dioxooxan-3-yl]carbamate

Names & synonyms

benzyl N-[(3S)-2,6-dioxooxan-3-yl]carbamate4124-76-9Benzyl (S)-(2,6-dioxotetrahydro-2H-pyran-3-yl)carbamateNSC25152N-cbz-glutamic acid anhydrideSCHEMBL4910771NSC17158NSC-17158NSC-25152CS-0256477G30606EN300-6490902
Show more names
benzyl (3S)-2,6-dioxotetrahydro-2H-pyran-3-ylcarbamate

Database identifiers

CAS
4124-76-9
PubChem CID
226563
Nikkaji
J224.936G

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
81.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
362

Related reactions

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Compound notes

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