(2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol

C7H16O6 — CID 148549371

IUPAC(2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol
SMILESCOC(OC)[C@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C7H16O6/c1-12-7(13-2)6(11)5(10)4(9)3-8/h4-11H,3H2,1-2H3/t4-,5-,6+/m0/s1
InChIKeyRLJVJLBLZUOCQC-HCWXCVPCSA-N
MW196.20 g/mol
LogP-2.32
Rot. Bonds6

About (2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol

(2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol (PubChem CID 148549371) has the molecular formula C7H16O6 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol
PubChem CID148549371
Molecular FormulaC7H16O6
Molecular Weight196.20 g/mol
Exact Mass196.09
IUPAC Name(2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol
SMILESCOC(OC)[C@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C7H16O6/c1-12-7(13-2)6(11)5(10)4(9)3-8/h4-11H,3H2,1-2H3/t4-,5-,6+/m0/s1
InChIKeyRLJVJLBLZUOCQC-HCWXCVPCSA-N
XLogP-2.32
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-2.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4R,5R)-1-methoxyhexane-1,2,3,4,5,6-hexol
CID 91131022
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3R)-4-methoxypentane-1,2,3,5-tetrol
CID 89370053
(2R,3R,4R,5R)-4-methoxyhexane-1,2,3,5,6-pentol
CID 22214433
(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
CID 87266813
CID 87266813

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol?
The IUPAC name of (2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol (CID 148549371) is (2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol.
What is the SMILES notation for (2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol?
The canonical SMILES for (2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol is COC(OC)[C@H](O)[C@@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol?
The InChIKey is RLJVJLBLZUOCQC-HCWXCVPCSA-N. The full InChI is InChI=1S/C7H16O6/c1-12-7(13-2)6(11)5(10)4(9)3-8/h4-11H,3H2,1-2H3/t4-,5-,6+/m0/s1.
What are the key properties of (2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol?
(2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol has a molecular weight of 196.20 g/mol, XLogP of -2.32, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol is sourced from PubChem (CID 148549371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).