5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid

HCID 155698CAS 72076-46-1
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Basic information

Standard SMILES
CC(=O)Nc1cccc2c(OC(C)=O)c(S(=O)(=O)O)ccc12
InChIKey
RYINRSWFVTYONC-UHFFFAOYSA-N
Molecular formula
C14H13NO6S
Average molar mass
323.32 g/mol
Monoisotopic mass
323.04635831

Names & identifiers

Preferred name
5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid
IUPAC
5-acetamido-1-acetyloxynaphthalene-2-sulfonic acid
English name
1-Acetoxy-5-acetylamino-2-naphthalenesulfonic acid
Molecular weight
0

Names & synonyms

72076-46-15-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acidSCHEMBL10822874DTXSID50276450RYINRSWFVTYONC-UHFFFAOYSA-N1-acetoxy-5-acetaminonaphthalene-2-sulfonic acid5-Acetylamino-1-acetoxy-2-naphthalenesulfonic acid1-Acetoxy-5-acetylamino-2-naphthalenesulfonic acid

Database identifiers

CAS
72076-46-1
PubChem CID
155698
DTXSID
DTXSID50276450
Nikkaji
J28.968J

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
118 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
22

Related reactions

2 records
New reaction record

Linked notes

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