(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol

C7H14O5 — CID 91029782

IUPAC(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol
SMILESC[C@]1(O)C(O)[C@@H](CO)OC[C@@H]1O
InChIInChI=1S/C7H14O5/c1-7(11)5(9)3-12-4(2-8)6(7)10/h4-6,8-11H,2-3H2,1H3/t4-,5+,6?,7-/m1/s1
InChIKeyKOPWLUJRKRVZLT-RDCZQUQVSA-N
MW178.18 g/mol
LogP-2.15
Rot. Bonds1

About (2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol

(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol (PubChem CID 91029782) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol
PubChem CID91029782
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol
SMILESC[C@]1(O)C(O)[C@@H](CO)OC[C@@H]1O
InChIInChI=1S/C7H14O5/c1-7(11)5(9)3-12-4(2-8)6(7)10/h4-6,8-11H,2-3H2,1H3/t4-,5+,6?,7-/m1/s1
InChIKeyKOPWLUJRKRVZLT-RDCZQUQVSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol?
The IUPAC name of (2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol (CID 91029782) is (2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol.
What is the SMILES notation for (2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol?
The canonical SMILES for (2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol is C[C@]1(O)C(O)[C@@H](CO)OC[C@@H]1O.
What is the InChIKey of (2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol?
The InChIKey is KOPWLUJRKRVZLT-RDCZQUQVSA-N. The full InChI is InChI=1S/C7H14O5/c1-7(11)5(9)3-12-4(2-8)6(7)10/h4-6,8-11H,2-3H2,1H3/t4-,5+,6?,7-/m1/s1.
What are the key properties of (2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol?
(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol 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 (2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol is sourced from PubChem (CID 91029782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).