azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate

C35H59N6O28P3 — CID 158482706

About azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate

azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate (PubChem CID 158482706) has the molecular formula C35H59N6O28P3 and a molecular weight of 1104.79 g/mol. Its IUPAC name is azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate.

Molecular Properties

• Compound Name: azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate
• PubChem CID: 158482706
• Molecular Formula: C35H59N6O28P3
• Molecular Weight: 1104.79 g/mol
• Exact Mass: 1104.26
• IUPAC Name: azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate
• SMILES: CN1C(=O)C2C3OC(C4OP(=O)(O)OC43)C2C1=O.CNC(=O)CCC(=O)OC1C(OP(=O)(O)OC)C2OC1C1C(=O)N(C)C(=O)C21.CO.COP(=O)(O)OC1C(O)C2OC1C1C(=O)N(C)C(=O)C21.N.N.O.O
• InChI: InChI=1S/C15H21N2O10P.C10H14NO8P.C9H10NO7P.CH4O.2H3N.2H2O/c1-16-6(18)4-5-7(19)25-12-10-8-9(15(21)17(2)14(8)20)11(26-10)13(12)27-28(22,23)24-3;1-11-9(13)3-4(10(11)14)7-8(5(12)6(3)18-7)19-20(15,16)17-2;1-10-8(11)2-3(9(10)12)5-7-6(4(2)15-5)16-18(13,14)17-7;1-2;;;;/h8-13H,4-5H2,1-3H3,(H,16,18)(H,22,23);3-8,12H,1-2H3,(H,15,16);2-7H,1H3,(H,13,14);2H,1H3;2*1H3;2*1H2
• InChIKey: JIOWFPKDBUFTJN-UHFFFAOYSA-N
• XLogP: -5.77
• TPSA: 535.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1104.79
LogP ≤ 5	-5.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate?

The IUPAC name of azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate (CID 158482706) is azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate.

What is the SMILES notation for azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate?

The canonical SMILES for azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate is CN1C(=O)C2C3OC(C4OP(=O)(O)OC43)C2C1=O.CNC(=O)CCC(=O)OC1C(OP(=O)(O)OC)C2OC1C1C(=O)N(C)C(=O)C21.CO.COP(=O)(O)OC1C(O)C2OC1C1C(=O)N(C)C(=O)C21.N.N.O.O.

What is the InChIKey of azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate?

The InChIKey is JIOWFPKDBUFTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N2O10P.C10H14NO8P.C9H10NO7P.CH4O.2H3N.2H2O/c1-16-6(18)4-5-7(19)25-12-10-8-9(15(21)17(2)14(8)20)11(26-10)13(12)27-28(22,23)24-3;1-11-9(13)3-4(10(11)14)7-8(5(12)6(3)18-7)19-20(15,16)17-2;1-10-8(11)2-3(9(10)12)5-7-6(4(2)15-5)16-18(13,14)17-7;1-2;;;;/h8-13H,4-5H2,1-3H3,(H,16,18)(H,22,23);3-8,12H,1-2H3,(H,15,16);2-7H,1H3,(H,13,14);2H,1H3;2*1H3;2*1H2.

What are the key properties of azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate?

azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate has a molecular weight of 1104.79 g/mol, XLogP of -5.77, 10 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for azane;[6-[hydroxy(methoxy)phosphoryl]oxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] 4-(methylamino)-4-oxobutanoate;(6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) methyl hydrogen phosphate;4-hydroxy-10-methyl-4-oxo-3,5,13-trioxa-10-aza-4λ5-phosphatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione;methanol;dihydrate is sourced from PubChem (CID 158482706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).