(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane

C10H19HgO7S — CID 101197115

IUPAC(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane
SMILESC.COC(=O)[C@]1([S-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O1.[Hg+]
InChIInChI=1S/C9H16O7S.CH4.Hg/c1-15-8(14)9(17)2-4(11)6(13)7(16-9)5(12)3-10;;/h4-7,10-13,17H,2-3H2,1H3;1H4;/q;;+1/p-1/t4-,5-,6-,7-,9-;;/m1../s1
InChIKeyOXIGVPNQRVHSAW-SLJSFDSFSA-M
MW483.91 g/mol
LogP-2.10
Rot. Bonds3

About (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane

(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane (PubChem CID 101197115) has the molecular formula C10H19HgO7S and a molecular weight of 483.91 g/mol. Its IUPAC name is (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane.

Molecular Properties

Compound Name(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane
PubChem CID101197115
Molecular FormulaC10H19HgO7S
Molecular Weight483.91 g/mol
Exact Mass485.06
IUPAC Name(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane
SMILESC.COC(=O)[C@]1([S-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O1.[Hg+]
InChIInChI=1S/C9H16O7S.CH4.Hg/c1-15-8(14)9(17)2-4(11)6(13)7(16-9)5(12)3-10;;/h4-7,10-13,17H,2-3H2,1H3;1H4;/q;;+1/p-1/t4-,5-,6-,7-,9-;;/m1../s1
InChIKeyOXIGVPNQRVHSAW-SLJSFDSFSA-M
XLogP-2.10
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.91
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane?
The IUPAC name of (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane (CID 101197115) is (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane.
What is the SMILES notation for (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane?
The canonical SMILES for (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane is C.COC(=O)[C@]1([S-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O1.[Hg+].
What is the InChIKey of (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane?
The InChIKey is OXIGVPNQRVHSAW-SLJSFDSFSA-M. The full InChI is InChI=1S/C9H16O7S.CH4.Hg/c1-15-8(14)9(17)2-4(11)6(13)7(16-9)5(12)3-10;;/h4-7,10-13,17H,2-3H2,1H3;1H4;/q;;+1/p-1/t4-,5-,6-,7-,9-;;/m1../s1.
What are the key properties of (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane?
(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane has a molecular weight of 483.91 g/mol, XLogP of -2.10, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxycarbonyloxane-2-thiolate;mercury(1+);methane is sourced from PubChem (CID 101197115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).