(2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde

C10H16O5 — CID 11042147

IUPAC(2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde
SMILESC/C=C/[C@H]1O[C@@H](C=O)[C@H](OCOC)[C@H]1O
InChIInChI=1S/C10H16O5/c1-3-4-7-9(12)10(14-6-13-2)8(5-11)15-7/h3-5,7-10,12H,6H2,1-2H3/b4-3+/t7-,8+,9+,10+/m1/s1
InChIKeyNSSUQDDZKBPAHP-QKDZJIMASA-N
MW216.23 g/mol
LogP-0.12
Rot. Bonds5

About (2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde

(2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde (PubChem CID 11042147) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde
PubChem CID11042147
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde
SMILESC/C=C/[C@H]1O[C@@H](C=O)[C@H](OCOC)[C@H]1O
InChIInChI=1S/C10H16O5/c1-3-4-7-9(12)10(14-6-13-2)8(5-11)15-7/h3-5,7-10,12H,6H2,1-2H3/b4-3+/t7-,8+,9+,10+/m1/s1
InChIKeyNSSUQDDZKBPAHP-QKDZJIMASA-N
XLogP-0.12
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5S)-5-[(Z,1S)-1-hydroxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10443763
(4S,5R)-5-[(Z,1R)-1-hydroxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11746380
(2S)-2-[(4S,5S)-2,2-dimethyl-5-[(Z)-pent-2-enyl]-1,3-dioxolan-4-yl]-2-(methoxymethoxy)acetaldehyde
CID 11780662
(2S)-2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-1-enyl]-1,3-dioxolan-4-yl]-2-(methoxymethoxy)acetaldehyde
CID 101659217

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde?
The IUPAC name of (2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde (CID 11042147) is (2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde.
What is the SMILES notation for (2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde?
The canonical SMILES for (2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde is C/C=C/[C@H]1O[C@@H](C=O)[C@H](OCOC)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde?
The InChIKey is NSSUQDDZKBPAHP-QKDZJIMASA-N. The full InChI is InChI=1S/C10H16O5/c1-3-4-7-9(12)10(14-6-13-2)8(5-11)15-7/h3-5,7-10,12H,6H2,1-2H3/b4-3+/t7-,8+,9+,10+/m1/s1.
What are the key properties of (2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde?
(2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde has a molecular weight of 216.23 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-4-hydroxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolane-2-carbaldehyde is sourced from PubChem (CID 11042147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).