3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane

C11H20ClO7Sb — CID 173014998

IUPAC3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane
SMILESC#CCCl.CCO.O=C1O[C@H]([C@H](O)CO)C(O)=C1O.[SbH3]
InChIInChI=1S/C6H8O6.C3H3Cl.C2H6O.Sb.3H/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-2-3-4;1-2-3;;;;/h2,5,7-10H,1H2;1H,3H2;3H,2H2,1H3;;;;/t2-,5-;;;;;;/m1....../s1
InChIKeyQZTUDXNZPGYUBJ-MKWDUHAMSA-N
MW421.49 g/mol
LogP-1.73
Rot. Bonds2

About 3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane

3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane (PubChem CID 173014998) has the molecular formula C11H20ClO7Sb and a molecular weight of 421.49 g/mol. Its IUPAC name is 3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane.

Molecular Properties

Compound Name3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane
PubChem CID173014998
Molecular FormulaC11H20ClO7Sb
Molecular Weight421.49 g/mol
Exact Mass419.99
IUPAC Name3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane
SMILESC#CCCl.CCO.O=C1O[C@H]([C@H](O)CO)C(O)=C1O.[SbH3]
InChIInChI=1S/C6H8O6.C3H3Cl.C2H6O.Sb.3H/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-2-3-4;1-2-3;;;;/h2,5,7-10H,1H2;1H,3H2;3H,2H2,1H3;;;;/t2-,5-;;;;;;/m1....../s1
InChIKeyQZTUDXNZPGYUBJ-MKWDUHAMSA-N
XLogP-1.73
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 5-1.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane?
The IUPAC name of 3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane (CID 173014998) is 3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane.
What is the SMILES notation for 3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane?
The canonical SMILES for 3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane is C#CCCl.CCO.O=C1O[C@H]([C@H](O)CO)C(O)=C1O.[SbH3].
What is the InChIKey of 3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane?
The InChIKey is QZTUDXNZPGYUBJ-MKWDUHAMSA-N. The full InChI is InChI=1S/C6H8O6.C3H3Cl.C2H6O.Sb.3H/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-2-3-4;1-2-3;;;;/h2,5,7-10H,1H2;1H,3H2;3H,2H2,1H3;;;;/t2-,5-;;;;;;/m1....../s1.
What are the key properties of 3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane?
3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane has a molecular weight of 421.49 g/mol, XLogP of -1.73, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroprop-1-yne;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;ethanol;stibane is sourced from PubChem (CID 173014998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).