methyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate

C14H20O5 — CID 10611946

IUPACmethyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate
SMILESC/C=C/[C@@H]1O[C@H](/C=C/C)/C(=C/C(O)C(=O)OC)[C@@H]1O
InChIInChI=1S/C14H20O5/c1-4-6-11-9(8-10(15)14(17)18-3)13(16)12(19-11)7-5-2/h4-8,10-13,15-16H,1-3H3/b6-4+,7-5+,9-8-/t10?,11-,12+,13+/m1/s1
InChIKeyDMRIUUMAZLWLQW-XVWRFVRXSA-N
MW268.31 g/mol
LogP0.73
Rot. Bonds4

About methyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate

methyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate (PubChem CID 10611946) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate.

Molecular Properties

Compound Namemethyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate
PubChem CID10611946
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Namemethyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate
SMILESC/C=C/[C@@H]1O[C@H](/C=C/C)/C(=C/C(O)C(=O)OC)[C@@H]1O
InChIInChI=1S/C14H20O5/c1-4-6-11-9(8-10(15)14(17)18-3)13(16)12(19-11)7-5-2/h4-8,10-13,15-16H,1-3H3/b6-4+,7-5+,9-8-/t10?,11-,12+,13+/m1/s1
InChIKeyDMRIUUMAZLWLQW-XVWRFVRXSA-N
XLogP0.73
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate?
The IUPAC name of methyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate (CID 10611946) is methyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate.
What is the SMILES notation for methyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate?
The canonical SMILES for methyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate is C/C=C/[C@@H]1O[C@H](/C=C/C)/C(=C/C(O)C(=O)OC)[C@@H]1O.
What is the InChIKey of methyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate?
The InChIKey is DMRIUUMAZLWLQW-XVWRFVRXSA-N. The full InChI is InChI=1S/C14H20O5/c1-4-6-11-9(8-10(15)14(17)18-3)13(16)12(19-11)7-5-2/h4-8,10-13,15-16H,1-3H3/b6-4+,7-5+,9-8-/t10?,11-,12+,13+/m1/s1.
What are the key properties of methyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate?
methyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate has a molecular weight of 268.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3E)-2-hydroxy-3-[(2R,4S,5S)-4-hydroxy-2,5-bis[(E)-prop-1-enyl]oxolan-3-ylidene]propanoate is sourced from PubChem (CID 10611946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).