(3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol

C8H16O5 — CID 170441583

IUPAC(3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol
SMILESOCCCC1OC[C@](O)(CO)[C@H]1O
InChIInChI=1S/C8H16O5/c9-3-1-2-6-7(11)8(12,4-10)5-13-6/h6-7,9-12H,1-5H2/t6?,7-,8+/m0/s1
InChIKeyUJKMVDAYEKJSGW-ZHFSPANRSA-N
MW192.21 g/mol
LogP-1.76
Rot. Bonds4

About (3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol

(3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol (PubChem CID 170441583) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol
PubChem CID170441583
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol
SMILESOCCCC1OC[C@](O)(CO)[C@H]1O
InChIInChI=1S/C8H16O5/c9-3-1-2-6-7(11)8(12,4-10)5-13-6/h6-7,9-12H,1-5H2/t6?,7-,8+/m0/s1
InChIKeyUJKMVDAYEKJSGW-ZHFSPANRSA-N
XLogP-1.76
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol?
The IUPAC name of (3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol (CID 170441583) is (3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol.
What is the SMILES notation for (3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol?
The canonical SMILES for (3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol is OCCCC1OC[C@](O)(CO)[C@H]1O.
What is the InChIKey of (3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol?
The InChIKey is UJKMVDAYEKJSGW-ZHFSPANRSA-N. The full InChI is InChI=1S/C8H16O5/c9-3-1-2-6-7(11)8(12,4-10)5-13-6/h6-7,9-12H,1-5H2/t6?,7-,8+/m0/s1.
What are the key properties of (3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol?
(3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol has a molecular weight of 192.21 g/mol, XLogP of -1.76, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol is sourced from PubChem (CID 170441583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).