(1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol

C10H18O5 — CID 134860235

IUPAC(1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol
SMILESC=C[C@H](O)[C@@H](O)[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O5/c1-4-6(11)8(12)9(13)7-5-14-10(2,3)15-7/h4,6-9,11-13H,1,5H2,2-3H3/t6-,7+,8+,9+/m0/s1
InChIKeyLTTHPGBLELNIRD-JQCXWYLXSA-N
MW218.25 g/mol
LogP-0.59
Rot. Bonds4

About (1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol

(1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol (PubChem CID 134860235) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol.

Molecular Properties

Compound Name(1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol
PubChem CID134860235
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol
SMILESC=C[C@H](O)[C@@H](O)[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O5/c1-4-6(11)8(12)9(13)7-5-14-10(2,3)15-7/h4,6-9,11-13H,1,5H2,2-3H3/t6-,7+,8+,9+/m0/s1
InChIKeyLTTHPGBLELNIRD-JQCXWYLXSA-N
XLogP-0.59
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 44143720
(2S,3S,4R,5R,6S)-2-(2-hydroxybut-3-enoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163098006
5-(2-Methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol
CID 10057979
(1S)-1-[(4S,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10899994
1-Ethoxybutyl-3-enyl-glucopyranoside
CID 195886
(R)-1-((4R,5S)-2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 11063164
(2S,3R,4S,5S,6R)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-prop-2-enyloxane-3,4,5-triol
CID 129637651
Allyl-beta-galactofuranose
CID 140714337
1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 155185118
Mannitol, 2,3:5,6-DI-O-isopropylidene-1-C-methylene-1-deoxy-
CID 538746
(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 10866792
(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 10888665

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol?
The IUPAC name of (1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol (CID 134860235) is (1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol.
What is the SMILES notation for (1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol?
The canonical SMILES for (1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol is C=C[C@H](O)[C@@H](O)[C@H](O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol?
The InChIKey is LTTHPGBLELNIRD-JQCXWYLXSA-N. The full InChI is InChI=1S/C10H18O5/c1-4-6(11)8(12)9(13)7-5-14-10(2,3)15-7/h4,6-9,11-13H,1,5H2,2-3H3/t6-,7+,8+,9+/m0/s1.
What are the key properties of (1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol?
(1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol has a molecular weight of 218.25 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-ene-1,2,3-triol is sourced from PubChem (CID 134860235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).