(4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate

C122H148BCl2F10I2N7O33 — CID 157331130

About (4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate

(4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate (PubChem CID 157331130) has the molecular formula C122H148BCl2F10I2N7O33 and a molecular weight of 2766.05 g/mol. Its IUPAC name is (4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate.

Molecular Properties

• Compound Name: (4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate
• PubChem CID: 157331130
• Molecular Formula: C122H148BCl2F10I2N7O33
• Molecular Weight: 2766.05 g/mol
• Exact Mass: 2763.75
• IUPAC Name: (4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate
• SMILES: CCC.CCC.CCC.CCC.CCC.CO[C@@H]1O[C@H](C=O)[C@H]2OC(C)(C)OC12.CO[C@@H]1O[C@H]([C@@H](O)c2ccc(F)c(F)c2)[C@H]2OC(C)(C)OC12.CO[C@@H]1O[C@H]([C@H](OC(=O)c2ccccc2)c2ccc(F)c(F)c2)[C@H]2OC(C)(C)OC12.Clc1ncnc2[nH]cc(I)c12.N.O.O.O=C(O)c1ccccc1.O=C(O[C@H](c1ccc(F)c(F)c1)[C@H]1OC(O)[C@H](O)[C@@H]1O)c1ccccc1.O=C(O[C@H](c1ccc(F)c(F)c1)[C@H]1O[C@@H](n2cc(I)c3c(Cl)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1.OB(O)c1ccc(F)c(F)c1
• InChI: InChI=1S/C24H17ClF2IN3O5.C22H22F2O6.C18H16F2O6.C15H18F2O5.C9H14O5.C7H6O2.C6H5BF2O2.C6H3ClIN3.5C3H8.H3N.2H2O/c25-21-16-15(28)9-31(22(16)30-10-29-21)23-18(33)17(32)20(35-23)19(12-6-7-13(26)14(27)8-12)36-24(34)11-4-2-1-3-5-11;1-22(2)29-18-17(28-21(26-3)19(18)30-22)16(13-9-10-14(23)15(24)11-13)27-20(25)12-7-5-4-6-8-12;19-11-7-6-10(8-12(11)20)15(16-13(21)14(22)18(24)26-16)25-17(23)9-4-2-1-3-5-9;1-15(2)21-12-11(20-14(19-3)13(12)22-15)10(18)7-4-5-8(16)9(17)6-7;1-9(2)13-6-5(4-10)12-8(11-3)7(6)14-9;8-7(9)6-4-2-1-3-5-6;8-5-2-1-4(7(10)11)3-6(5)9;7-5-4-3(8)1-9-6(4)11-2-10-5;5*1-3-2;;;/h1-10,17-20,23,32-33H;4-11,16-19,21H,1-3H3;1-8,13-16,18,21-22,24H;4-6,10-14,18H,1-3H3;4-8H,1-3H3;1-5H,(H,8,9);1-3,10-11H;1-2H,(H,9,10,11);5*3H2,1-2H3;1H3;2*1H2/t17-,18+,19+,20-,23+;16-,17-,18-,19?,21-;13-,14+,15+,16-,18?;10-,11+,12+,13?,14+;5-,6-,7?,8-;;;;;;;;;;;/m01001.........../s1
• InChIKey: FRABEYCDPZYIQU-JAPPDBBGSA-N
• XLogP: 20.05
• TPSA: 594.61 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2766.05
LogP ≤ 5	20.05
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate?

The IUPAC name of (4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate (CID 157331130) is (4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate.

What is the SMILES notation for (4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate?

The canonical SMILES for (4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate is CCC.CCC.CCC.CCC.CCC.CO[C@@H]1O[C@H](C=O)[C@H]2OC(C)(C)OC12.CO[C@@H]1O[C@H]([C@@H](O)c2ccc(F)c(F)c2)[C@H]2OC(C)(C)OC12.CO[C@@H]1O[C@H]([C@H](OC(=O)c2ccccc2)c2ccc(F)c(F)c2)[C@H]2OC(C)(C)OC12.Clc1ncnc2[nH]cc(I)c12.N.O.O.O=C(O)c1ccccc1.O=C(O[C@H](c1ccc(F)c(F)c1)[C@H]1OC(O)[C@H](O)[C@@H]1O)c1ccccc1.O=C(O[C@H](c1ccc(F)c(F)c1)[C@H]1O[C@@H](n2cc(I)c3c(Cl)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1.OB(O)c1ccc(F)c(F)c1.

What is the InChIKey of (4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate?

The InChIKey is FRABEYCDPZYIQU-JAPPDBBGSA-N. The full InChI is InChI=1S/C24H17ClF2IN3O5.C22H22F2O6.C18H16F2O6.C15H18F2O5.C9H14O5.C7H6O2.C6H5BF2O2.C6H3ClIN3.5C3H8.H3N.2H2O/c25-21-16-15(28)9-31(22(16)30-10-29-21)23-18(33)17(32)20(35-23)19(12-6-7-13(26)14(27)8-12)36-24(34)11-4-2-1-3-5-11;1-22(2)29-18-17(28-21(26-3)19(18)30-22)16(13-9-10-14(23)15(24)11-13)27-20(25)12-7-5-4-6-8-12;19-11-7-6-10(8-12(11)20)15(16-13(21)14(22)18(24)26-16)25-17(23)9-4-2-1-3-5-9;1-15(2)21-12-11(20-14(19-3)13(12)22-15)10(18)7-4-5-8(16)9(17)6-7;1-9(2)13-6-5(4-10)12-8(11-3)7(6)14-9;8-7(9)6-4-2-1-3-5-6;8-5-2-1-4(7(10)11)3-6(5)9;7-5-4-3(8)1-9-6(4)11-2-10-5;5*1-3-2;;;/h1-10,17-20,23,32-33H;4-11,16-19,21H,1-3H3;1-8,13-16,18,21-22,24H;4-6,10-14,18H,1-3H3;4-8H,1-3H3;1-5H,(H,8,9);1-3,10-11H;1-2H,(H,9,10,11);5*3H2,1-2H3;1H3;2*1H2/t17-,18+,19+,20-,23+;16-,17-,18-,19?,21-;13-,14+,15+,16-,18?;10-,11+,12+,13?,14+;5-,6-,7?,8-;;;;;;;;;;;/m01001.........../s1.

What are the key properties of (4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate?

(4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate has a molecular weight of 2766.05 g/mol, XLogP of 20.05, 21 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;(S)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanol;[(R)-[(4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl] benzoate;azane;benzoic acid;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(R)-[(2S,3S,4R,5R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-(3,4-difluorophenyl)methyl] benzoate;(3,4-difluorophenyl)boronic acid;[(R)-(3,4-difluorophenyl)-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] benzoate;propane;dihydrate is sourced from PubChem (CID 157331130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).