(3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol

C9H16O5 — CID 89096588

IUPAC(3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol
SMILESC=CC[C@]1(O)C(OC)O[C@H](CO)[C@H]1O
InChIInChI=1S/C9H16O5/c1-3-4-9(12)7(11)6(5-10)14-8(9)13-2/h3,6-8,10-12H,1,4-5H2,2H3/t6-,7-,8?,9-/m1/s1
InChIKeyIXAGNVXTWCURBY-AIPQFCGWSA-N
MW204.22 g/mol
LogP-0.98
Rot. Bonds4

About (3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol

(3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol (PubChem CID 89096588) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is (3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol
PubChem CID89096588
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol
SMILESC=CC[C@]1(O)C(OC)O[C@H](CO)[C@H]1O
InChIInChI=1S/C9H16O5/c1-3-4-9(12)7(11)6(5-10)14-8(9)13-2/h3,6-8,10-12H,1,4-5H2,2H3/t6-,7-,8?,9-/m1/s1
InChIKeyIXAGNVXTWCURBY-AIPQFCGWSA-N
XLogP-0.98
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol 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

(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 15334390
Methyl 2-C-allyl-2-deoxyarabinofuranoside
CID 195586
(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 12186301
5-Hydroxymethyl-2,2-dimethyl-6-vinyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-ol
CID 22177561
(2R)-4-but-3-enyl-2-[(2R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 386655
(2R,3R,5R,6R)-4-but-3-enyl-2-[(2R,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CID 489621
(3S,4S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,6-dien-4-ol
CID 14167460
(2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol
CID 24905943
n-Pentenyl fucofuranoside
CID 129829132
(3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 134845233
(2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol
CID 134986777
(3aR,5R,6R,6aR)-6-but-3-enyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 10243538

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol?
The IUPAC name of (3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol (CID 89096588) is (3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol.
What is the SMILES notation for (3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol?
The canonical SMILES for (3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol is C=CC[C@]1(O)C(OC)O[C@H](CO)[C@H]1O.
What is the InChIKey of (3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol?
The InChIKey is IXAGNVXTWCURBY-AIPQFCGWSA-N. The full InChI is InChI=1S/C9H16O5/c1-3-4-9(12)7(11)6(5-10)14-8(9)13-2/h3,6-8,10-12H,1,4-5H2,2H3/t6-,7-,8?,9-/m1/s1.
What are the key properties of (3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol?
(3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol has a molecular weight of 204.22 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-3-prop-2-enyloxolane-3,4-diol is sourced from PubChem (CID 89096588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).