(4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride

C12H28Cl2N4O10Pt+2 — CID 11599944

About (4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride

(4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride (PubChem CID 11599944) has the molecular formula C12H28Cl2N4O10Pt+2 and a molecular weight of 654.36 g/mol. Its IUPAC name is (4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride.

Molecular Properties

• Compound Name: (4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride
• PubChem CID: 11599944
• Molecular Formula: C12H28Cl2N4O10Pt+2
• Molecular Weight: 654.36 g/mol
• Exact Mass: 653.08
• IUPAC Name: (4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride
• SMILES: CC(=O)N[C@H]1[C@H](C)CC(O)(C(=O)O)O[C@@H]1C(O)C(O)CO.N.N.O=NO.[Cl-].[Cl-].[Pt+4]
• InChI: InChI=1S/C12H21NO8.2ClH.HNO2.2H3N.Pt/c1-5-3-12(20,11(18)19)21-10(8(5)13-6(2)15)9(17)7(16)4-14;;;2-1-3;;;/h5,7-10,14,16-17,20H,3-4H2,1-2H3,(H,13,15)(H,18,19);2*1H;(H,2,3);2*1H3;/q;;;;;;+4/p-2/t5-,7?,8+,9?,10+,12?;;;;;;/m1....../s1
• InChIKey: VFVZGRSPZSOYKV-KFRCEBHBSA-L
• XLogP: -8.13
• TPSA: 276.21 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	654.36
LogP ≤ 5	-8.13
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride?

The IUPAC name of (4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride (CID 11599944) is (4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride.

What is the SMILES notation for (4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride?

The canonical SMILES for (4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride is CC(=O)N[C@H]1[C@H](C)CC(O)(C(=O)O)O[C@@H]1C(O)C(O)CO.N.N.O=NO.[Cl-].[Cl-].[Pt+4].

What is the InChIKey of (4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride?

The InChIKey is VFVZGRSPZSOYKV-KFRCEBHBSA-L. The full InChI is InChI=1S/C12H21NO8.2ClH.HNO2.2H3N.Pt/c1-5-3-12(20,11(18)19)21-10(8(5)13-6(2)15)9(17)7(16)4-14;;;2-1-3;;;/h5,7-10,14,16-17,20H,3-4H2,1-2H3,(H,13,15)(H,18,19);2*1H;(H,2,3);2*1H3;/q;;;;;;+4/p-2/t5-,7?,8+,9?,10+,12?;;;;;;/m1....../s1.

What are the key properties of (4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride?

(4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride has a molecular weight of 654.36 g/mol, XLogP of -8.13, 5 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S,6S)-5-acetamido-2-hydroxy-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;azane;nitrous acid;platinum(4+);dichloride is sourced from PubChem (CID 11599944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).