(2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol

C79H134N15O15P5 — CID 161193170

About (2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-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 161193170) has the molecular formula C79H134N15O15P5 and a molecular weight of 1688.90 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-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: (2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-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: 161193170
• Molecular Formula: C79H134N15O15P5
• Molecular Weight: 1688.90 g/mol
• Exact Mass: 1687.89
• IUPAC Name: (2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-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=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N/C(=N/C)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1OC.C=C1N=C(N(C)C)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=c2[nH]c(C)cc2=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.[H]/N=C1\C=CN([C@@H]2O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]2O)C(=C)N1C
• InChI: InChI=1S/C17H26N3O3P.2C16H28N3O3P.2C15H26N3O3P/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;1-11-18-13(17-2)7-9-19(11)16-15(21-3)14(20)12(22-16)8-10-23(4,5)6;1-10-17(2)12(16)6-8-18(10)15-14(20)13(19)11(21-15)7-9-22(3,4)5;1-10-17-12(16-2)6-8-18(10)15-14(20)13(19)11(21-15)7-9-22(3,4)5/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;7,9,12,14-16,20H,1,4,8,10H2,2-3,5-6H3,(H,17,18);6,8,11,13-16,19-20H,1,3,7,9H2,2,4-5H3;6,8,11,13-15,19-20H,1,3,7,9H2,2,4-5H3,(H,16,17)/b;;;16-12+;/t13-,14-,15-,17-;2*12-,14-,15-,16-;2*11-,13-,14-,15-/m11111/s1
• InChIKey: UTZLKXHPBWJOIH-YWIXRZPQSA-N
• XLogP: 3.10
• TPSA: 373.27 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1688.90
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-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 (2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-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 161193170) is (2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-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 (2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-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 (2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-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=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N/C(=N/C)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1OC.C=C1N=C(N(C)C)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=c2[nH]c(C)cc2=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.[H]/N=C1\C=CN([C@@H]2O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]2O)C(=C)N1C.

What is the InChIKey of (2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-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 UTZLKXHPBWJOIH-YWIXRZPQSA-N. The full InChI is InChI=1S/C17H26N3O3P.2C16H28N3O3P.2C15H26N3O3P/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;1-11-18-13(17-2)7-9-19(11)16-15(21-3)14(20)12(22-16)8-10-23(4,5)6;1-10-17(2)12(16)6-8-18(10)15-14(20)13(19)11(21-15)7-9-22(3,4)5;1-10-17-12(16-2)6-8-18(10)15-14(20)13(19)11(21-15)7-9-22(3,4)5/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;7,9,12,14-16,20H,1,4,8,10H2,2-3,5-6H3,(H,17,18);6,8,11,13-16,19-20H,1,3,7,9H2,2,4-5H3;6,8,11,13-15,19-20H,1,3,7,9H2,2,4-5H3,(H,16,17)/b;;;16-12+;/t13-,14-,15-,17-;2*12-,14-,15-,16-;2*11-,13-,14-,15-/m11111/s1.

What are the key properties of (2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(6-methyl-2-methylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolane-3,4-diol?

(2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-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 1688.90 g/mol, XLogP of 3.10, 21 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-[4-(dimethylamino)-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(4-imino-3-methyl-2-methylidenepyrimidin-1-yl)oxolane-3,4-diol;(2R,3R,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol;(2R,3S,4R,5R)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-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 161193170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).