(2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol

C8H14O4 — CID 69088897

IUPAC(2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol
SMILESC=C(C)[C@]1(O)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C8H14O4/c1-5(2)8(11)3-6(10)7(4-9)12-8/h6-7,9-11H,1,3-4H2,2H3/t6-,7+,8-/m0/s1
InChIKeyHABQLERFXREAFJ-RNJXMRFFSA-N
MW174.20 g/mol
LogP-0.61
Rot. Bonds2

About (2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol

(2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol (PubChem CID 69088897) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol.

Molecular Properties

Compound Name(2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol
PubChem CID69088897
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol
SMILESC=C(C)[C@]1(O)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C8H14O4/c1-5(2)8(11)3-6(10)7(4-9)12-8/h6-7,9-11H,1,3-4H2,2H3/t6-,7+,8-/m0/s1
InChIKeyHABQLERFXREAFJ-RNJXMRFFSA-N
XLogP-0.61
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
CID 89126678
(2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
CID 131201868
(2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 11062955
(2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol
CID 18666633
2,4-dihydroxy-6-(hydroxymethyl)-5-(hydroxymethylamino)oxane-2-carboxylic acid
CID 118934558
(2'R,3S,3'S)-2'-(hydroxymethyl)spiro[1,4-dihydroisochromene-3,5'-oxolane]-3'-ol
CID 142437622
2'-(hydroxymethyl)spiro[1,4-dihydroisochromene-3,5'-oxolane]-3'-ol
CID 142437645
(2R,3S,5R)-5-(4-chlorophenyl)-2-(hydroxymethyl)-5-(iodomethyl)oxolan-3-ol
CID 11245609
(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol
CID 130147634
[(2S,4R,5S,6R)-2-chloro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 142625830
2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol
CID 130126601
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol?
The IUPAC name of (2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol (CID 69088897) is (2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol.
What is the SMILES notation for (2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol?
The canonical SMILES for (2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol is C=C(C)[C@]1(O)C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol?
The InChIKey is HABQLERFXREAFJ-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H14O4/c1-5(2)8(11)3-6(10)7(4-9)12-8/h6-7,9-11H,1,3-4H2,2H3/t6-,7+,8-/m0/s1.
What are the key properties of (2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol?
(2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol has a molecular weight of 174.20 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol is sourced from PubChem (CID 69088897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).