(1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol

C7H14O6 — CID 169443752

IUPAC(1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol
SMILES[2H]C([2H])([2H])OC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4+,5+,6-,7?/i1D3
InChIKeyDSCFFEYYQKSRSV-NMSQVNMCSA-N
MW197.20 g/mol
LogP-3.18
Rot. Bonds2

About (1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol

(1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol (PubChem CID 169443752) has the molecular formula C7H14O6 and a molecular weight of 197.20 g/mol. Its IUPAC name is (1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol
PubChem CID169443752
Molecular FormulaC7H14O6
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name(1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol
SMILES[2H]C([2H])([2H])OC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4+,5+,6-,7?/i1D3
InChIKeyDSCFFEYYQKSRSV-NMSQVNMCSA-N
XLogP-3.18
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-3.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol?
The IUPAC name of (1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol (CID 169443752) is (1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for (1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol is [2H]C([2H])([2H])OC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol?
The InChIKey is DSCFFEYYQKSRSV-NMSQVNMCSA-N. The full InChI is InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4+,5+,6-,7?/i1D3.
What are the key properties of (1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol?
(1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol has a molecular weight of 197.20 g/mol, XLogP of -3.18, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 169443752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).