(2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol

C7H11IO4 — CID 91561208

IUPAC(2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol
SMILESC/C=C1\O[C@H](C(O)I)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H11IO4/c1-2-3-4(9)5(10)6(12-3)7(8)11/h2,4-7,9-11H,1H3/b3-2-/t4-,5+,6+,7?/m1/s1
InChIKeyMWXQSWSUCCTOPD-XHLLVLPESA-N
MW286.07 g/mol
LogP-0.24
Rot. Bonds1

About (2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol

(2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol (PubChem CID 91561208) has the molecular formula C7H11IO4 and a molecular weight of 286.07 g/mol. Its IUPAC name is (2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol
PubChem CID91561208
Molecular FormulaC7H11IO4
Molecular Weight286.07 g/mol
Exact Mass285.97
IUPAC Name(2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol
SMILESC/C=C1\O[C@H](C(O)I)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H11IO4/c1-2-3-4(9)5(10)6(12-3)7(8)11/h2,4-7,9-11H,1H3/b3-2-/t4-,5+,6+,7?/m1/s1
InChIKeyMWXQSWSUCCTOPD-XHLLVLPESA-N
XLogP-0.24
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol?
The IUPAC name of (2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol (CID 91561208) is (2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol.
What is the SMILES notation for (2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol?
The canonical SMILES for (2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol is C/C=C1\O[C@H](C(O)I)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol?
The InChIKey is MWXQSWSUCCTOPD-XHLLVLPESA-N. The full InChI is InChI=1S/C7H11IO4/c1-2-3-4(9)5(10)6(12-3)7(8)11/h2,4-7,9-11H,1H3/b3-2-/t4-,5+,6+,7?/m1/s1.
What are the key properties of (2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol?
(2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol has a molecular weight of 286.07 g/mol, XLogP of -0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3S,4S,5S)-2-ethylidene-5-[hydroxy(iodo)methyl]oxolane-3,4-diol is sourced from PubChem (CID 91561208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).