(1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol

C7H14O6 — CID 54199383

IUPAC(1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol
SMILESOC[C@]1(O)C[C@@](O)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14O6/c8-2-6(12)1-7(13,3-9)5(11)4(6)10/h4-5,8-13H,1-3H2/t4-,5-,6+,7+/m0/s1
InChIKeyPODABYJOLYLNJM-VWDOSNQTSA-N
MW194.18 g/mol
LogP-3.44
Rot. Bonds2

About (1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol

(1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol (PubChem CID 54199383) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol
PubChem CID54199383
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol
SMILESOC[C@]1(O)C[C@@](O)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14O6/c8-2-6(12)1-7(13,3-9)5(11)4(6)10/h4-5,8-13H,1-3H2/t4-,5-,6+,7+/m0/s1
InChIKeyPODABYJOLYLNJM-VWDOSNQTSA-N
XLogP-3.44
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.18
LogP ≤ 5-3.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 102432047
(2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 53354586
(1S,2S,3R)-1-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 100932205
(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 58502500
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one
CID 25201795
(1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol
CID 54195839
(4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol
CID 102503272
2-(1,2-dihydroxyethyl)-4-(hydroxymethyl)pyrrolidine-3,4-diol
CID 75102996
(3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol
CID 170441583
(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol
CID 45254640
1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol
CID 139788929
3,5-bis(hydroxymethyl)-2-methylthiolan-3-ol
CID 91562051

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol?
The IUPAC name of (1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol (CID 54199383) is (1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol is OC[C@]1(O)C[C@@](O)(CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol?
The InChIKey is PODABYJOLYLNJM-VWDOSNQTSA-N. The full InChI is InChI=1S/C7H14O6/c8-2-6(12)1-7(13,3-9)5(11)4(6)10/h4-5,8-13H,1-3H2/t4-,5-,6+,7+/m0/s1.
What are the key properties of (1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol?
(1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol has a molecular weight of 194.18 g/mol, XLogP of -3.44, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol is sourced from PubChem (CID 54199383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).