[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione

C97H134F3N10O37P5 — CID 162146966

About [1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione

[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione (PubChem CID 162146966) has the molecular formula C97H134F3N10O37P5 and a molecular weight of 2244.04 g/mol. Its IUPAC name is [1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: [1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione
• PubChem CID: 162146966
• Molecular Formula: C97H134F3N10O37P5
• Molecular Weight: 2244.04 g/mol
• Exact Mass: 2242.76
• IUPAC Name: [1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione
• SMILES: C=P(C)(C)CC[C@H]1O[C@@H](n2cc(C(O)C(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(C(O)C(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(C(OC(=O)C(F)(F)F)C(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(C(OC(=O)OCC3c4ccccc4-c4ccccc43)C(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(CC(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C31H35N2O9P.C18H24F3N2O8P.2C16H25N2O7P.C16H25N2O6P/c1-17(34)27(42-31(39)40-16-23-20-11-7-5-9-18(20)19-10-6-8-12-21(19)23)22-15-33(30(38)32-28(22)37)29-26(36)25(35)24(41-29)13-14-43(2,3)4;1-8(24)13(31-16(28)18(19,20)21)9-7-23(17(29)22-14(9)27)15-12(26)11(25)10(30-15)5-6-32(2,3)4;2*1-8(19)11(20)9-7-18(16(24)17-14(9)23)15-13(22)12(21)10(25-15)5-6-26(2,3)4;1-9(19)7-10-8-18(16(23)17-14(10)22)15-13(21)12(20)11(24-15)5-6-25(2,3)4/h5-12,15,23-27,29,35-36H,2,13-14,16H2,1,3-4H3,(H,32,37,38);7,10-13,15,25-26H,2,5-6H2,1,3-4H3,(H,22,27,29);2*7,10-13,15,20-22H,2,5-6H2,1,3-4H3,(H,17,23,24);8,11-13,15,20-21H,2,5-7H2,1,3-4H3,(H,17,22,23)/t24-,25-,26-,27?,29-;10-,11-,12-,13?,15-;2*10-,11?,12-,13-,15-;11-,12-,13-,15-/m11111/s1
• InChIKey: ZKRKHKHJRSWYSD-WSHMURAHSA-N
• XLogP: -0.02
• TPSA: 710.39 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 42
• Rotatable Bonds: 34
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2244.04
LogP ≤ 5	-0.02
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione?

The IUPAC name of [1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione (CID 162146966) is [1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione.

What is the SMILES notation for [1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione?

The canonical SMILES for [1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione is C=P(C)(C)CC[C@H]1O[C@@H](n2cc(C(O)C(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(C(O)C(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(C(OC(=O)C(F)(F)F)C(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(C(OC(=O)OCC3c4ccccc4-c4ccccc43)C(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(CC(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.

What is the InChIKey of [1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione?

The InChIKey is ZKRKHKHJRSWYSD-WSHMURAHSA-N. The full InChI is InChI=1S/C31H35N2O9P.C18H24F3N2O8P.2C16H25N2O7P.C16H25N2O6P/c1-17(34)27(42-31(39)40-16-23-20-11-7-5-9-18(20)19-10-6-8-12-21(19)23)22-15-33(30(38)32-28(22)37)29-26(36)25(35)24(41-29)13-14-43(2,3)4;1-8(24)13(31-16(28)18(19,20)21)9-7-23(17(29)22-14(9)27)15-12(26)11(25)10(30-15)5-6-32(2,3)4;2*1-8(19)11(20)9-7-18(16(24)17-14(9)23)15-13(22)12(21)10(25-15)5-6-26(2,3)4;1-9(19)7-10-8-18(16(23)17-14(10)22)15-13(21)12(20)11(24-15)5-6-25(2,3)4/h5-12,15,23-27,29,35-36H,2,13-14,16H2,1,3-4H3,(H,32,37,38);7,10-13,15,25-26H,2,5-6H2,1,3-4H3,(H,22,27,29);2*7,10-13,15,20-22H,2,5-6H2,1,3-4H3,(H,17,23,24);8,11-13,15,20-21H,2,5-7H2,1,3-4H3,(H,17,22,23)/t24-,25-,26-,27?,29-;10-,11-,12-,13?,15-;2*10-,11?,12-,13-,15-;11-,12-,13-,15-/m11111/s1.

What are the key properties of [1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione?

[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione has a molecular weight of 2244.04 g/mol, XLogP of -0.02, 34 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 9H-fluoren-9-ylmethyl carbonate;[1-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropyl] 2,2,2-trifluoroacetate;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(1-hydroxy-2-oxopropyl)pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 162146966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).