CID 131846607

C7H14NaO8 — CID 131846607

IUPAC—
SMILESO=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na]
InChIInChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/t2-,3-,4+,5-,6-;/m1./s1
InChIKeyPZZCCEDMNRJSOC-WYRLRVFGSA-N
MW249.17 g/mol
LogP-4.51
Rot. Bonds6

About CID 131846607

CID 131846607 (PubChem CID 131846607) has the molecular formula C7H14NaO8 and a molecular weight of 249.17 g/mol.

Molecular Properties

Compound NameCID 131846607
PubChem CID131846607
Molecular FormulaC7H14NaO8
Molecular Weight249.17 g/mol
Exact Mass249.06
IUPAC Name—
SMILESO=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na]
InChIInChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/t2-,3-,4+,5-,6-;/m1./s1
InChIKeyPZZCCEDMNRJSOC-WYRLRVFGSA-N
XLogP-4.51
TPSA158.68 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.17
LogP ≤ 5-4.51
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

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pentacosazinc;tridecakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
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Frequently Asked Questions

What is the IUPAC name of CID 131846607?
The IUPAC name of CID 131846607 (CID 131846607) is not available.
What is the SMILES notation for CID 131846607?
The canonical SMILES for CID 131846607 is O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na].
What is the InChIKey of CID 131846607?
The InChIKey is PZZCCEDMNRJSOC-WYRLRVFGSA-N. The full InChI is InChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/t2-,3-,4+,5-,6-;/m1./s1.
What are the key properties of CID 131846607?
CID 131846607 has a molecular weight of 249.17 g/mol, XLogP of -4.51, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131846607 is sourced from PubChem (CID 131846607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).