4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate

C83H118N8O30P4 — CID 158195378

About 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate

4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate (PubChem CID 158195378) has the molecular formula C83H118N8O30P4 and a molecular weight of 1831.78 g/mol. Its IUPAC name is 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate.

Molecular Properties

• Compound Name: 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate
• PubChem CID: 158195378
• Molecular Formula: C83H118N8O30P4
• Molecular Weight: 1831.78 g/mol
• Exact Mass: 1830.69
• IUPAC Name: 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate
• SMILES: C=P(C)(C)CC[C@H]1O[C@@H](n2cc(OCC(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(OCC(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2ccc(=O)n(CCC(C)C(=O)O)c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2ccc(=O)n(CCC(C)C(=O)OC(=O)OCC3c4ccccc4-c4ccccc43)c2=O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C33H39N2O9P.C18H29N2O7P.2C16H25N2O7P/c1-20(31(39)44-33(41)42-19-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25)13-16-34-27(36)14-17-35(32(34)40)30-29(38)28(37)26(43-30)15-18-45(2,3)4;1-11(17(24)25)5-8-19-13(21)6-9-20(18(19)26)16-15(23)14(22)12(27-16)7-10-28(2,3)4;2*1-9(19)8-24-11-7-18(16(23)17-14(11)22)15-13(21)12(20)10(25-15)5-6-26(2,3)4/h5-12,14,17,20,25-26,28-30,37-38H,2,13,15-16,18-19H2,1,3-4H3;6,9,11-12,14-16,22-23H,2,5,7-8,10H2,1,3-4H3,(H,24,25);2*7,10,12-13,15,20-21H,2,5-6,8H2,1,3-4H3,(H,17,22,23)/t20?,26-,28-,29-,30-;11?,12-,14-,15-,16-;2*10-,12-,13-,15-/m1111/s1
• InChIKey: GAGWIJJWDXESOQ-LDQROYEMSA-N
• XLogP: 1.53
• TPSA: 538.98 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1831.78
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate?

The IUPAC name of 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate (CID 158195378) is 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate.

What is the SMILES notation for 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate?

The canonical SMILES for 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate is C=P(C)(C)CC[C@H]1O[C@@H](n2cc(OCC(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cc(OCC(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2ccc(=O)n(CCC(C)C(=O)O)c2=O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2ccc(=O)n(CCC(C)C(=O)OC(=O)OCC3c4ccccc4-c4ccccc43)c2=O)[C@H](O)[C@@H]1O.

What is the InChIKey of 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate?

The InChIKey is GAGWIJJWDXESOQ-LDQROYEMSA-N. The full InChI is InChI=1S/C33H39N2O9P.C18H29N2O7P.2C16H25N2O7P/c1-20(31(39)44-33(41)42-19-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25)13-16-34-27(36)14-17-35(32(34)40)30-29(38)28(37)26(43-30)15-18-45(2,3)4;1-11(17(24)25)5-8-19-13(21)6-9-20(18(19)26)16-15(23)14(22)12(27-16)7-10-28(2,3)4;2*1-9(19)8-24-11-7-18(16(23)17-14(11)22)15-13(21)12(20)10(25-15)5-6-26(2,3)4/h5-12,14,17,20,25-26,28-30,37-38H,2,13,15-16,18-19H2,1,3-4H3;6,9,11-12,14-16,22-23H,2,5,7-8,10H2,1,3-4H3,(H,24,25);2*7,10,12-13,15,20-21H,2,5-6,8H2,1,3-4H3,(H,17,22,23)/t20?,26-,28-,29-,30-;11?,12-,14-,15-,16-;2*10-,12-,13-,15-/m1111/s1.

What are the key properties of 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate?

4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate has a molecular weight of 1831.78 g/mol, XLogP of 1.53, 32 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoic acid;bis(1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(2-oxopropoxy)pyrimidine-2,4-dione);9H-fluoren-9-ylmethoxycarbonyl 4-[3-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-2-methylbutanoate is sourced from PubChem (CID 158195378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).