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

C7H14O5 — CID 88986238

IUPAC(1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol
SMILESCO[C@@H]1C(O)[C@H](O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C7H14O5/c1-12-7-4(9)2-3(8)5(10)6(7)11/h3-11H,2H2,1H3/t3-,4+,5-,6?,7+/m1/s1
InChIKeyQBZDDZYWBISWNJ-RPMJSFPHSA-N
MW178.18 g/mol
LogP-2.15
Rot. Bonds1

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

(1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol (PubChem CID 88986238) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol.

Molecular Properties

Compound Name(1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol
PubChem CID88986238
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol
SMILESCO[C@@H]1C(O)[C@H](O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C7H14O5/c1-12-7-4(9)2-3(8)5(10)6(7)11/h3-11H,2H2,1H3/t3-,4+,5-,6?,7+/m1/s1
InChIKeyQBZDDZYWBISWNJ-RPMJSFPHSA-N
XLogP-2.15
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2S,4R,5R)-4-methoxy-5-methylcyclohexane-1,2,3-triol
CID 88986232
(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271
(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
CID 10964847
[(1S,2S,3R,4S,6R)-2,3,4,6-tetrahydroxycyclohexyl] acetate
CID 71161221
(1R,3R,4R,6S)-4,5,6-trimethoxycyclohexane-1,2,3-triol
CID 68728955
(1R,2R,3S)-3-methoxycyclobutane-1,2-diol
CID 22814752
(2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol
CID 130831748
(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386
(1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol
CID 143582026
(1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol
CID 139212358
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol?
The IUPAC name of (1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol (CID 88986238) is (1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol.
What is the SMILES notation for (1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol?
The canonical SMILES for (1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol is CO[C@@H]1C(O)[C@H](O)[C@H](O)C[C@@H]1O.
What is the InChIKey of (1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol?
The InChIKey is QBZDDZYWBISWNJ-RPMJSFPHSA-N. The full InChI is InChI=1S/C7H14O5/c1-12-7-4(9)2-3(8)5(10)6(7)11/h3-11H,2H2,1H3/t3-,4+,5-,6?,7+/m1/s1.
What are the key properties of (1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol?
(1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol has a molecular weight of 178.18 g/mol, XLogP of -2.15, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol is sourced from PubChem (CID 88986238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).