(2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol

C11H19IO5 — CID 67704595

IUPAC(2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol
SMILESC=C(C)O[C@@H]1[C@H](OC)[C@H](OC)CO[C@]1(O)CI
InChIInChI=1S/C11H19IO5/c1-7(2)17-10-9(15-4)8(14-3)5-16-11(10,13)6-12/h8-10,13H,1,5-6H2,2-4H3/t8-,9-,10-,11-/m1/s1
InChIKeyOMRCNTAIXUFLAV-GWOFURMSSA-N
MW358.17 g/mol
LogP1.09
Rot. Bonds5

About (2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol

(2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol (PubChem CID 67704595) has the molecular formula C11H19IO5 and a molecular weight of 358.17 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol
PubChem CID67704595
Molecular FormulaC11H19IO5
Molecular Weight358.17 g/mol
Exact Mass358.03
IUPAC Name(2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol
SMILESC=C(C)O[C@@H]1[C@H](OC)[C@H](OC)CO[C@]1(O)CI
InChIInChI=1S/C11H19IO5/c1-7(2)17-10-9(15-4)8(14-3)5-16-11(10,13)6-12/h8-10,13H,1,5-6H2,2-4H3/t8-,9-,10-,11-/m1/s1
InChIKeyOMRCNTAIXUFLAV-GWOFURMSSA-N
XLogP1.09
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol?
The IUPAC name of (2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol (CID 67704595) is (2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol.
What is the SMILES notation for (2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol?
The canonical SMILES for (2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol is C=C(C)O[C@@H]1[C@H](OC)[C@H](OC)CO[C@]1(O)CI.
What is the InChIKey of (2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol?
The InChIKey is OMRCNTAIXUFLAV-GWOFURMSSA-N. The full InChI is InChI=1S/C11H19IO5/c1-7(2)17-10-9(15-4)8(14-3)5-16-11(10,13)6-12/h8-10,13H,1,5-6H2,2-4H3/t8-,9-,10-,11-/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol?
(2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol has a molecular weight of 358.17 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-(iodomethyl)-4,5-dimethoxy-3-prop-1-en-2-yloxyoxan-2-ol is sourced from PubChem (CID 67704595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).