(3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol

C76H128N15O18P5 — CID 162263190

About (3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol

(3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol (PubChem CID 162263190) has the molecular formula C76H128N15O18P5 and a molecular weight of 1694.82 g/mol. Its IUPAC name is (3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol.

Molecular Properties

• Compound Name: (3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol
• PubChem CID: 162263190
• Molecular Formula: C76H128N15O18P5
• Molecular Weight: 1694.82 g/mol
• Exact Mass: 1693.82
• IUPAC Name: (3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol
• SMILES: C=C1N=C(N(C)C)C=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=c2[nH]c(C)cc2=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=P(C)(C)CC[C@H]1OC(n2ccc(NC)nc2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2ccc(NC)nc2=O)[C@H](OC)[C@@H]1O.[H]/N=c1\ccn(C2O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]2O)c(=O)n1C
• InChI: InChI=1S/C17H26N3O3P.C16H28N3O3P.C15H26N3O4P.2C14H24N3O4P/c1-10-8-12-9-20(11(2)19-16(12)18-10)17-15(22)14(21)13(23-17)6-7-24(3,4)5;1-11-17-13(18(2)3)7-9-19(11)16-15(21)14(20)12(22-16)8-10-23(4,5)6;1-16-11-6-8-18(15(20)17-11)14-13(21-2)12(19)10(22-14)7-9-23(3,4)5;1-16-10(15)5-7-17(14(16)20)13-12(19)11(18)9(21-13)6-8-22(2,3)4;1-15-10-5-7-17(14(20)16-10)13-12(19)11(18)9(21-13)6-8-22(2,3)4/h8-9,13-15,17,21-22H,2-3,6-7H2,1,4-5H3,(H,18,19);7,9,12,14-16,20-21H,1,4,8,10H2,2-3,5-6H3;6,8,10,12-14,19H,3,7,9H2,1-2,4-5H3,(H,16,17,20);5,7,9,11-13,15,18-19H,2,6,8H2,1,3-4H3;5,7,9,11-13,18-19H,2,6,8H2,1,3-4H3,(H,15,16,20)/b;;;15-10+;/t13-,14-,15-,17?;12-,14-,15-,16?;10-,12-,13-,14?;2*9-,11-,12-,13?/m11111/s1
• InChIKey: ZZNPINRRTCXOJL-MUIZRIKBSA-N
• XLogP: 0.85
• TPSA: 432.30 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1694.82
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol?

The IUPAC name of (3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol (CID 162263190) is (3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol.

What is the SMILES notation for (3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol?

The canonical SMILES for (3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol is C=C1N=C(N(C)C)C=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=c2[nH]c(C)cc2=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=P(C)(C)CC[C@H]1OC(n2ccc(NC)nc2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2ccc(NC)nc2=O)[C@H](OC)[C@@H]1O.[H]/N=c1\ccn(C2O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]2O)c(=O)n1C.

What is the InChIKey of (3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol?

The InChIKey is ZZNPINRRTCXOJL-MUIZRIKBSA-N. The full InChI is InChI=1S/C17H26N3O3P.C16H28N3O3P.C15H26N3O4P.2C14H24N3O4P/c1-10-8-12-9-20(11(2)19-16(12)18-10)17-15(22)14(21)13(23-17)6-7-24(3,4)5;1-11-17-13(18(2)3)7-9-19(11)16-15(21)14(20)12(22-16)8-10-23(4,5)6;1-16-11-6-8-18(15(20)17-11)14-13(21-2)12(19)10(22-14)7-9-23(3,4)5;1-16-10(15)5-7-17(14(16)20)13-12(19)11(18)9(21-13)6-8-22(2,3)4;1-15-10-5-7-17(14(20)16-10)13-12(19)11(18)9(21-13)6-8-22(2,3)4/h8-9,13-15,17,21-22H,2-3,6-7H2,1,4-5H3,(H,18,19);7,9,12,14-16,20-21H,1,4,8,10H2,2-3,5-6H3;6,8,10,12-14,19H,3,7,9H2,1-2,4-5H3,(H,16,17,20);5,7,9,11-13,15,18-19H,2,6,8H2,1,3-4H3;5,7,9,11-13,18-19H,2,6,8H2,1,3-4H3,(H,15,16,20)/b;;;15-10+;/t13-,14-,15-,17?;12-,14-,15-,16?;10-,12-,13-,14?;2*9-,11-,12-,13?/m11111/s1.

What are the key properties of (3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol?

(3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol has a molecular weight of 1694.82 g/mol, XLogP of 0.85, 23 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-3-methylpyrimidin-2-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;1-[(3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one;(2R,3S,4R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol is sourced from PubChem (CID 162263190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).