Sodium carboxymethyl cellulose

C8H16NaO8 — CID 6328154

IUPAC—
SMILESCC(=O)O.O=CC(O)C(O)C(O)C(O)CO.[Na]
InChIInChI=1S/C6H12O6.C2H4O2.Na/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4;/h1,3-6,8-12H,2H2;1H3,(H,3,4);
InChIKeyDPXJVFZANSGRMM-UHFFFAOYSA-N
MW263.20 g/mol
LogP-3.67
Rot. Bonds5

About Sodium carboxymethyl cellulose

Sodium carboxymethyl cellulose (PubChem CID 6328154) has the molecular formula C8H16NaO8 and a molecular weight of 263.20 g/mol.

Molecular Properties

Compound NameSodium carboxymethyl cellulose
PubChem CID6328154
Molecular FormulaC8H16NaO8
Molecular Weight263.20 g/mol
Exact Mass263.07
IUPAC Name—
SMILESCC(=O)O.O=CC(O)C(O)C(O)C(O)CO.[Na]
InChIInChI=1S/C6H12O6.C2H4O2.Na/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4;/h1,3-6,8-12H,2H2;1H3,(H,3,4);
InChIKeyDPXJVFZANSGRMM-UHFFFAOYSA-N
XLogP-3.67
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.20
LogP ≤ 5-3.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Sodium carboxymethyl cellulose?
The IUPAC name of Sodium carboxymethyl cellulose (CID 6328154) is not available.
What is the SMILES notation for Sodium carboxymethyl cellulose?
The canonical SMILES for Sodium carboxymethyl cellulose is CC(=O)O.O=CC(O)C(O)C(O)C(O)CO.[Na].
What is the InChIKey of Sodium carboxymethyl cellulose?
The InChIKey is DPXJVFZANSGRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6.C2H4O2.Na/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4;/h1,3-6,8-12H,2H2;1H3,(H,3,4);.
What are the key properties of Sodium carboxymethyl cellulose?
Sodium carboxymethyl cellulose has a molecular weight of 263.20 g/mol, XLogP of -3.67, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium carboxymethyl cellulose is sourced from PubChem (CID 6328154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).