(2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol

C81H132N25O15P5 — CID 158847068

About (2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol

(2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol (PubChem CID 158847068) has the molecular formula C81H132N25O15P5 and a molecular weight of 1850.98 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
• PubChem CID: 158847068
• Molecular Formula: C81H132N25O15P5
• Molecular Weight: 1850.98 g/mol
• Exact Mass: 1849.90
• IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
• SMILES: C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(N)nc(CC)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(N)nc(CCC)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(N)nc(CCCC)nc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C18H30N5O3P.C17H28N5O3P.C16H26N5O3P.2C15H24N5O3P/c1-5-6-7-12-21-16(19)13-17(22-12)23(10-20-13)18-15(25)14(24)11(26-18)8-9-27(2,3)4;1-5-6-11-20-15(18)12-16(21-11)22(9-19-12)17-14(24)13(23)10(25-17)7-8-26(2,3)4;1-5-10-19-14(17)11-15(20-10)21(8-18-11)16-13(23)12(22)9(24-16)6-7-25(2,3)4;2*1-8-18-13(16)10-14(19-8)20(7-17-10)15-12(22)11(21)9(23-15)5-6-24(2,3)4/h10-11,14-15,18,24-25H,2,5-9H2,1,3-4H3,(H2,19,21,22);9-10,13-14,17,23-24H,2,5-8H2,1,3-4H3,(H2,18,20,21);8-9,12-13,16,22-23H,2,5-7H2,1,3-4H3,(H2,17,19,20);2*7,9,11-12,15,21-22H,2,5-6H2,1,3-4H3,(H2,16,18,19)/t11-,14-,15-,18-;10-,13-,14-,17-;9-,12-,13-,16-;2*9-,11-,12-,15-/m11111/s1
• InChIKey: IYYVMLYFKVBVFG-ZZBHDFMVSA-N
• XLogP: 4.11
• TPSA: 596.55 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1850.98
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?

The IUPAC name of (2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol (CID 158847068) is (2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol.

What is the SMILES notation for (2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?

The canonical SMILES for (2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol is C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(N)nc(CC)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(N)nc(CCC)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(N)nc(CCCC)nc32)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?

The InChIKey is IYYVMLYFKVBVFG-ZZBHDFMVSA-N. The full InChI is InChI=1S/C18H30N5O3P.C17H28N5O3P.C16H26N5O3P.2C15H24N5O3P/c1-5-6-7-12-21-16(19)13-17(22-12)23(10-20-13)18-15(25)14(24)11(26-18)8-9-27(2,3)4;1-5-6-11-20-15(18)12-16(21-11)22(9-19-12)17-14(24)13(23)10(25-17)7-8-26(2,3)4;1-5-10-19-14(17)11-15(20-10)21(8-18-11)16-13(23)12(22)9(24-16)6-7-25(2,3)4;2*1-8-18-13(16)10-14(19-8)20(7-17-10)15-12(22)11(21)9(23-15)5-6-24(2,3)4/h10-11,14-15,18,24-25H,2,5-9H2,1,3-4H3,(H2,19,21,22);9-10,13-14,17,23-24H,2,5-8H2,1,3-4H3,(H2,18,20,21);8-9,12-13,16,22-23H,2,5-7H2,1,3-4H3,(H2,17,19,20);2*7,9,11-12,15,21-22H,2,5-6H2,1,3-4H3,(H2,16,18,19)/t11-,14-,15-,18-;10-,13-,14-,17-;9-,12-,13-,16-;2*9-,11-,12-,15-/m11111/s1.

What are the key properties of (2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?

(2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol has a molecular weight of 1850.98 g/mol, XLogP of 4.11, 26 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-(6-amino-2-butylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-amino-2-ethylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-amino-2-propylpurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol is sourced from PubChem (CID 158847068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).