C6H12O5 — CID 171369816

IUPAC—
SMILESC[C@@H]1OC(O)[13CH](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5?,6?/m0/s1/i5+1
InChIKeySHZGCJCMOBCMKK-GQUHRFGZSA-N
MW165.15 g/mol
LogP-2.19
Rot. Bonds

About

(PubChem CID 171369816) has the molecular formula C6H12O5 and a molecular weight of 165.15 g/mol.

Molecular Properties

Compound Name
PubChem CID171369816
Molecular FormulaC6H12O5
Molecular Weight165.15 g/mol
Exact Mass165.07
IUPAC Name—
SMILESC[C@@H]1OC(O)[13CH](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5?,6?/m0/s1/i5+1
InChIKeySHZGCJCMOBCMKK-GQUHRFGZSA-N
XLogP-2.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ?
The IUPAC name of (CID 171369816) is not available.
What is the SMILES notation for ?
The canonical SMILES for is C[C@@H]1OC(O)[13CH](O)[C@H](O)[C@@H]1O.
What is the InChIKey of ?
The InChIKey is SHZGCJCMOBCMKK-GQUHRFGZSA-N. The full InChI is InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5?,6?/m0/s1/i5+1.
What are the key properties of ?
has a molecular weight of 165.15 g/mol, XLogP of -2.19, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for is sourced from PubChem (CID 171369816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).