(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol

C6H14O5 — CID 89316162

IUPAC(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol
SMILESCCO[C@@H](O)[C@@H](O)C(O)CO
InChIInChI=1S/C6H14O5/c1-2-11-6(10)5(9)4(8)3-7/h4-10H,2-3H2,1H3/t4?,5-,6+/m0/s1
InChIKeyYKDXWVQVPBBWDA-DUAGOPDLSA-N
MW166.17 g/mol
LogP-1.94
Rot. Bonds5

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

(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol (PubChem CID 89316162) has the molecular formula C6H14O5 and a molecular weight of 166.17 g/mol. Its IUPAC name is (1R,2S)-1-ethoxybutane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol
PubChem CID89316162
Molecular FormulaC6H14O5
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol
SMILESCCO[C@@H](O)[C@@H](O)C(O)CO
InChIInChI=1S/C6H14O5/c1-2-11-6(10)5(9)4(8)3-7/h4-10H,2-3H2,1H3/t4?,5-,6+/m0/s1
InChIKeyYKDXWVQVPBBWDA-DUAGOPDLSA-N
XLogP-1.94
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol
CID 154036897
(3R,4S,5R)-1-ethoxy-1,3,4,5,6-pentahydroxyhexan-2-one
CID 141107730
4-ethoxynonane-1,2,3-triol
CID 174961473
(2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol
CID 141446098
3-ethoxy-4-methylpentane-1,2-diol
CID 23384895
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
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(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
heptane-1,2,3,4,5-pentol
CID 21365644
1,3-diethoxy-2-methylpropane-1,3-diol
CID 162410705

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-ethoxybutane-1,2,3,4-tetrol?
The IUPAC name of (1R,2S)-1-ethoxybutane-1,2,3,4-tetrol (CID 89316162) is (1R,2S)-1-ethoxybutane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2S)-1-ethoxybutane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2S)-1-ethoxybutane-1,2,3,4-tetrol is CCO[C@@H](O)[C@@H](O)C(O)CO.
What is the InChIKey of (1R,2S)-1-ethoxybutane-1,2,3,4-tetrol?
The InChIKey is YKDXWVQVPBBWDA-DUAGOPDLSA-N. The full InChI is InChI=1S/C6H14O5/c1-2-11-6(10)5(9)4(8)3-7/h4-10H,2-3H2,1H3/t4?,5-,6+/m0/s1.
What are the key properties of (1R,2S)-1-ethoxybutane-1,2,3,4-tetrol?
(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol has a molecular weight of 166.17 g/mol, XLogP of -1.94, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-ethoxybutane-1,2,3,4-tetrol is sourced from PubChem (CID 89316162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).