CID 6330634

C6H11NaO8PS — CID 6330634

IUPAC—
SMILESO=C(O)CC(CS(=O)CP(=O)(O)O)C(=O)O.[Na]
InChIInChI=1S/C6H11O8PS.Na/c7-5(8)1-4(6(9)10)2-16(14)3-15(11,12)13;/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13);
InChIKeyKMSRRXXNHWAAFE-UHFFFAOYSA-N
MW297.18 g/mol
LogP-1.34
Rot. Bonds7

About CID 6330634

CID 6330634 (PubChem CID 6330634) has the molecular formula C6H11NaO8PS and a molecular weight of 297.18 g/mol.

Molecular Properties

Compound NameCID 6330634
PubChem CID6330634
Molecular FormulaC6H11NaO8PS
Molecular Weight297.18 g/mol
Exact Mass296.98
IUPAC Name—
SMILESO=C(O)CC(CS(=O)CP(=O)(O)O)C(=O)O.[Na]
InChIInChI=1S/C6H11O8PS.Na/c7-5(8)1-4(6(9)10)2-16(14)3-15(11,12)13;/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13);
InChIKeyKMSRRXXNHWAAFE-UHFFFAOYSA-N
XLogP-1.34
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 6330634?
The IUPAC name of CID 6330634 (CID 6330634) is not available.
What is the SMILES notation for CID 6330634?
The canonical SMILES for CID 6330634 is O=C(O)CC(CS(=O)CP(=O)(O)O)C(=O)O.[Na].
What is the InChIKey of CID 6330634?
The InChIKey is KMSRRXXNHWAAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O8PS.Na/c7-5(8)1-4(6(9)10)2-16(14)3-15(11,12)13;/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13);.
What are the key properties of CID 6330634?
CID 6330634 has a molecular weight of 297.18 g/mol, XLogP of -1.34, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6330634 is sourced from PubChem (CID 6330634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).