(3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium

C7H14NO5SV- — CID 58472988

IUPAC(3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium
SMILESS=[V].[CH2-]N[C@@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14NO5.S.V/c1-8-4-6(11)5(10)3(2-9)13-7(4)12;;/h3-12H,1-2H2;;/q-1;;/t3-,4+,5+,6-,7?;;/m1../s1
InChIKeyAVKMWNAERAKVPK-CFFNJQIDSA-N
MW275.20 g/mol
LogP-2.19
Rot. Bonds2

About (3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium

(3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium (PubChem CID 58472988) has the molecular formula C7H14NO5SV- and a molecular weight of 275.20 g/mol. Its IUPAC name is (3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium.

Molecular Properties

Compound Name(3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium
PubChem CID58472988
Molecular FormulaC7H14NO5SV-
Molecular Weight275.20 g/mol
Exact Mass275.00
IUPAC Name(3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium
SMILESS=[V].[CH2-]N[C@@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14NO5.S.V/c1-8-4-6(11)5(10)3(2-9)13-7(4)12;;/h3-12H,1-2H2;;/q-1;;/t3-,4+,5+,6-,7?;;/m1../s1
InChIKeyAVKMWNAERAKVPK-CFFNJQIDSA-N
XLogP-2.19
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 5-2.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium with MolForge

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Related Compounds

(5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 175358932
(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 148734988
(6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 163828593
(2R,4R,5S)-3-(chloroamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 91580441
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(3R,4R,5R)-3-(aminomethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 126608918
(3R,4R,5R,6R)-3-(aminomethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58606874
(3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 143537967
(3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70829993
N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 54146447
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium?
The IUPAC name of (3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium (CID 58472988) is (3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium.
What is the SMILES notation for (3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium?
The canonical SMILES for (3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium is S=[V].[CH2-]N[C@@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium?
The InChIKey is AVKMWNAERAKVPK-CFFNJQIDSA-N. The full InChI is InChI=1S/C7H14NO5.S.V/c1-8-4-6(11)5(10)3(2-9)13-7(4)12;;/h3-12H,1-2H2;;/q-1;;/t3-,4+,5+,6-,7?;;/m1../s1.
What are the key properties of (3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium?
(3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium has a molecular weight of 275.20 g/mol, XLogP of -2.19, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium is sourced from PubChem (CID 58472988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).