(2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol

C7H16O6 — CID 89333893

IUPAC(2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol
SMILESCOCOC(CO)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C7H16O6/c1-12-4-13-6(3-9)7(11)5(10)2-8/h5-11H,2-4H2,1H3/t5-,6?,7-/m0/s1
InChIKeyCIILRHMZMWLEEP-LOJRBXKRSA-N
MW196.20 g/mol
LogP-2.32
Rot. Bonds7

About (2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol

(2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol (PubChem CID 89333893) has the molecular formula C7H16O6 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol.

Molecular Properties

Compound Name(2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol
PubChem CID89333893
Molecular FormulaC7H16O6
Molecular Weight196.20 g/mol
Exact Mass196.09
IUPAC Name(2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol
SMILESCOCOC(CO)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C7H16O6/c1-12-4-13-6(3-9)7(11)5(10)2-8/h5-11H,2-4H2,1H3/t5-,6?,7-/m0/s1
InChIKeyCIILRHMZMWLEEP-LOJRBXKRSA-N
XLogP-2.32
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
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'}

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Related Compounds

(2R,3R)-2,3-bis(methoxymethoxy)butane-1,4-diol
CID 11063695
(2R)-2-(methoxymethoxy)butane-1,3-diol
CID 87662516
(2R,3R)-4-methoxypentane-1,2,3,5-tetrol
CID 89370053
(3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol
CID 88926803
(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol
CID 86156615
(2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol
CID 88961080
(2R)-2-(methoxymethoxy)propan-1-ol
CID 10975472
(2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol
CID 141446098
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol?
The IUPAC name of (2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol (CID 89333893) is (2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol.
What is the SMILES notation for (2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol?
The canonical SMILES for (2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol is COCOC(CO)[C@@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol?
The InChIKey is CIILRHMZMWLEEP-LOJRBXKRSA-N. The full InChI is InChI=1S/C7H16O6/c1-12-4-13-6(3-9)7(11)5(10)2-8/h5-11H,2-4H2,1H3/t5-,6?,7-/m0/s1.
What are the key properties of (2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol?
(2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol has a molecular weight of 196.20 g/mol, XLogP of -2.32, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol is sourced from PubChem (CID 89333893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).