(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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Related Compounds

(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 58502500
2-(3-hydroxypropyl)oxolan-3-ol
CID 145103835
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol
CID 91589098
(1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol
CID 54199383
5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol
CID 91473641
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 637312
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 101252067
(3R,4R)-5-amino-3-(hydroxymethyl)-6-(5-sulfanylpentoxy)oxane-3,4-diol
CID 58040652
(2R,3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91038054
(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91418847
(4R,5S)-6-(hydroxymethyl)oxane-3,3,4,5-tetrol
CID 59927511
(2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol
CID 169040223

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).