carbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol

C13H16ClN3O5Ru — CID 176753116

IUPACcarbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol
SMILESCl[Ru+].OC1[C@@H](O)[C@H](O)CO[C@H]1c1nnc(-c2ccccn2)o1.[CH3-]
InChIInChI=1S/C12H13N3O5.CH3.ClH.Ru/c16-7-5-19-10(9(18)8(7)17)12-15-14-11(20-12)6-3-1-2-4-13-6;;;/h1-4,7-10,16-18H,5H2;1H3;1H;/q;-1;;+2/p-1/t7-,8+,9?,10-;;;/m1.../s1
InChIKeyDLZJWZZWVWOLOL-BRUUNVHZSA-M
MW430.81 g/mol
LogP0.42
Rot. Bonds2

About carbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol

carbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol (PubChem CID 176753116) has the molecular formula C13H16ClN3O5Ru and a molecular weight of 430.81 g/mol. Its IUPAC name is carbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Namecarbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol
PubChem CID176753116
Molecular FormulaC13H16ClN3O5Ru
Molecular Weight430.81 g/mol
Exact Mass430.98
IUPAC Namecarbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol
SMILESCl[Ru+].OC1[C@@H](O)[C@H](O)CO[C@H]1c1nnc(-c2ccccn2)o1.[CH3-]
InChIInChI=1S/C12H13N3O5.CH3.ClH.Ru/c16-7-5-19-10(9(18)8(7)17)12-15-14-11(20-12)6-3-1-2-4-13-6;;;/h1-4,7-10,16-18H,5H2;1H3;1H;/q;-1;;+2/p-1/t7-,8+,9?,10-;;;/m1.../s1
InChIKeyDLZJWZZWVWOLOL-BRUUNVHZSA-M
XLogP0.42
TPSA121.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.81
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
The IUPAC name of carbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol (CID 176753116) is carbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol.
What is the SMILES notation for carbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
The canonical SMILES for carbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol is Cl[Ru+].OC1[C@@H](O)[C@H](O)CO[C@H]1c1nnc(-c2ccccn2)o1.[CH3-].
What is the InChIKey of carbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
The InChIKey is DLZJWZZWVWOLOL-BRUUNVHZSA-M. The full InChI is InChI=1S/C12H13N3O5.CH3.ClH.Ru/c16-7-5-19-10(9(18)8(7)17)12-15-14-11(20-12)6-3-1-2-4-13-6;;;/h1-4,7-10,16-18H,5H2;1H3;1H;/q;-1;;+2/p-1/t7-,8+,9?,10-;;;/m1.../s1.
What are the key properties of carbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
carbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol has a molecular weight of 430.81 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chlororuthenium(1+);(2R,4S,5R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol is sourced from PubChem (CID 176753116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).