[(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C35H54N4O17 — CID 160652585

About [(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate

[(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 160652585) has the molecular formula C35H54N4O17 and a molecular weight of 802.83 g/mol. Its IUPAC name is [(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

• Compound Name: [(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
• PubChem CID: 160652585
• Molecular Formula: C35H54N4O17
• Molecular Weight: 802.83 g/mol
• Exact Mass: 802.35
• IUPAC Name: [(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
• SMILES: CCN1C(=O)CC2(CCN(C(=O)OC3C(O)C(O)C(C)C(O)[C@H]3O)CC2)C1=O.CCN1C(=O)CC2(CCN(C(=O)OC3C(O)C(O)C(O)C(O)[C@H]3O)CC2)C1=O
• InChI: InChI=1S/C18H28N2O8.C17H26N2O9/c1-3-20-10(21)8-18(16(20)26)4-6-19(7-5-18)17(27)28-15-13(24)11(22)9(2)12(23)14(15)25;1-2-19-8(20)7-17(15(19)26)3-5-18(6-4-17)16(27)28-14-12(24)10(22)9(21)11(23)13(14)25/h9,11-15,22-25H,3-8H2,1-2H3;9-14,21-25H,2-7H2,1H3/t9?,11?,12?,13-,14?,15?;9?,10?,11?,12-,13?,14?/m11/s1
• InChIKey: RKPUUPUJIUNKAV-LPZUFPSPSA-N
• XLogP: -4.38
• TPSA: 315.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	802.83
LogP ≤ 5	-4.38
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate?

The IUPAC name of [(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 160652585) is [(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

What is the SMILES notation for [(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate?

The canonical SMILES for [(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CCN1C(=O)CC2(CCN(C(=O)OC3C(O)C(O)C(C)C(O)[C@H]3O)CC2)C1=O.CCN1C(=O)CC2(CCN(C(=O)OC3C(O)C(O)C(O)C(O)[C@H]3O)CC2)C1=O.

What is the InChIKey of [(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate?

The InChIKey is RKPUUPUJIUNKAV-LPZUFPSPSA-N. The full InChI is InChI=1S/C18H28N2O8.C17H26N2O9/c1-3-20-10(21)8-18(16(20)26)4-6-19(7-5-18)17(27)28-15-13(24)11(22)9(2)12(23)14(15)25;1-2-19-8(20)7-17(15(19)26)3-5-18(6-4-17)16(27)28-14-12(24)10(22)9(21)11(23)13(14)25/h9,11-15,22-25H,3-8H2,1-2H3;9-14,21-25H,2-7H2,1H3/t9?,11?,12?,13-,14?,15?;9?,10?,11?,12-,13?,14?/m11/s1.

What are the key properties of [(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate?

[(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 802.83 g/mol, XLogP of -4.38, 4 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 160652585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).