CID 59879035

C9H14O8 — CID 59879035

IUPAC—
SMILES[CH]C(O)C(O)C1OC(O)(C(=O)O)CC(O)[C@H]1O
InChIInChI=1S/C9H14O8/c1-3(10)5(12)7-6(13)4(11)2-9(16,17-7)8(14)15/h1,3-7,10-13,16H,2H2,(H,14,15)/t3?,4?,5?,6-,7?,9?/m1/s1
InChIKeyWXMDFZXCUFEBMN-MJWSYZLKSA-N
MW250.20 g/mol
LogP-3.30
Rot. Bonds3

About CID 59879035

CID 59879035 (PubChem CID 59879035) has the molecular formula C9H14O8 and a molecular weight of 250.20 g/mol.

Molecular Properties

Compound NameCID 59879035
PubChem CID59879035
Molecular FormulaC9H14O8
Molecular Weight250.20 g/mol
Exact Mass250.07
IUPAC Name—
SMILES[CH]C(O)C(O)C1OC(O)(C(=O)O)CC(O)[C@H]1O
InChIInChI=1S/C9H14O8/c1-3(10)5(12)7-6(13)4(11)2-9(16,17-7)8(14)15/h1,3-7,10-13,16H,2H2,(H,14,15)/t3?,4?,5?,6-,7?,9?/m1/s1
InChIKeyWXMDFZXCUFEBMN-MJWSYZLKSA-N
XLogP-3.30
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.20
LogP ≤ 5-3.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 59879035?
The IUPAC name of CID 59879035 (CID 59879035) is not available.
What is the SMILES notation for CID 59879035?
The canonical SMILES for CID 59879035 is [CH]C(O)C(O)C1OC(O)(C(=O)O)CC(O)[C@H]1O.
What is the InChIKey of CID 59879035?
The InChIKey is WXMDFZXCUFEBMN-MJWSYZLKSA-N. The full InChI is InChI=1S/C9H14O8/c1-3(10)5(12)7-6(13)4(11)2-9(16,17-7)8(14)15/h1,3-7,10-13,16H,2H2,(H,14,15)/t3?,4?,5?,6-,7?,9?/m1/s1.
What are the key properties of CID 59879035?
CID 59879035 has a molecular weight of 250.20 g/mol, XLogP of -3.30, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59879035 is sourced from PubChem (CID 59879035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).