2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate

C126H135N31O31 — CID 159449010

About 2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate

2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate (PubChem CID 159449010) has the molecular formula C126H135N31O31 and a molecular weight of 2579.65 g/mol. Its IUPAC name is 2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate.

Molecular Properties

• Compound Name: 2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate
• PubChem CID: 159449010
• Molecular Formula: C126H135N31O31
• Molecular Weight: 2579.65 g/mol
• Exact Mass: 2577.99
• IUPAC Name: 2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate
• SMILES: CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C=CC(=O)OC)C2O[C@H](C=Cc3ccccc3)O[C@@H]21.CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C=O)C2O[C@H](C=Cc3ccccc3)O[C@@H]21.CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCC(=O)O)C2O[C@H](C=Cc3ccccc3)O[C@@H]21.CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCC(=O)OC)C2O[C@H](C=Cc3ccccc3)O[C@@H]21.CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ncccc2C(=O)O)C2O[C@H](/C=C/c3ccccc3)O[C@@H]21.CO
• InChI: InChI=1S/C29H29N7O7.C25H28N6O6.C25H26N6O6.C24H26N6O6.C22H22N6O5.CH4O/c1-2-30-29(39)35-25-22-26(33-15-32-25)36(16-34-22)27-24-23(42-21(43-24)11-10-17-7-4-3-5-8-17)20(41-27)14-40-13-19-18(28(37)38)9-6-12-31-19;2*1-3-26-25(33)30-22-19-23(28-13-27-22)31(14-29-19)24-21-20(16(35-24)10-11-17(32)34-2)36-18(37-21)12-9-15-7-5-4-6-8-15;1-2-25-24(33)29-21-18-22(27-12-26-21)30(13-28-18)23-20-19(15(34-23)9-10-16(31)32)35-17(36-20)11-8-14-6-4-3-5-7-14;1-2-23-22(30)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(10-29)31-21)32-15(33-18)9-8-13-6-4-3-5-7-13;1-2/h3-12,15-16,20-21,23-24,27H,2,13-14H2,1H3,(H,37,38)(H2,30,32,33,35,39);4-9,12-14,16,18,20-21,24H,3,10-11H2,1-2H3,(H2,26,27,28,30,33);4-14,16,18,20-21,24H,3H2,1-2H3,(H2,26,27,28,30,33);3-8,11-13,15,17,19-20,23H,2,9-10H2,1H3,(H,31,32)(H2,25,26,27,29,33);3-12,14-15,17-18,21H,2H2,1H3,(H2,23,24,25,27,30);2H,1H3/b11-10+;;;;;/t20-,21+,23?,24+,27-;2*16-,18+,20?,21+,24-;15-,17+,19?,20+,23-;14-,15+,17?,18+,21-;/m11111./s1
• InChIKey: LTCUSWRAHQTWFQ-YUFFNBTFSA-N
• XLogP: 12.11
• TPSA: 748.72 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 50
• Rotatable Bonds: 39
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2579.65
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate?

The IUPAC name of 2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate (CID 159449010) is 2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate.

What is the SMILES notation for 2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate?

The canonical SMILES for 2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate is CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C=CC(=O)OC)C2O[C@H](C=Cc3ccccc3)O[C@@H]21.CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C=O)C2O[C@H](C=Cc3ccccc3)O[C@@H]21.CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCC(=O)O)C2O[C@H](C=Cc3ccccc3)O[C@@H]21.CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCC(=O)OC)C2O[C@H](C=Cc3ccccc3)O[C@@H]21.CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ncccc2C(=O)O)C2O[C@H](/C=C/c3ccccc3)O[C@@H]21.CO.

What is the InChIKey of 2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate?

The InChIKey is LTCUSWRAHQTWFQ-YUFFNBTFSA-N. The full InChI is InChI=1S/C29H29N7O7.C25H28N6O6.C25H26N6O6.C24H26N6O6.C22H22N6O5.CH4O/c1-2-30-29(39)35-25-22-26(33-15-32-25)36(16-34-22)27-24-23(42-21(43-24)11-10-17-7-4-3-5-8-17)20(41-27)14-40-13-19-18(28(37)38)9-6-12-31-19;2*1-3-26-25(33)30-22-19-23(28-13-27-22)31(14-29-19)24-21-20(16(35-24)10-11-17(32)34-2)36-18(37-21)12-9-15-7-5-4-6-8-15;1-2-25-24(33)29-21-18-22(27-12-26-21)30(13-28-18)23-20-19(15(34-23)9-10-16(31)32)35-17(36-20)11-8-14-6-4-3-5-7-14;1-2-23-22(30)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(10-29)31-21)32-15(33-18)9-8-13-6-4-3-5-7-13;1-2/h3-12,15-16,20-21,23-24,27H,2,13-14H2,1H3,(H,37,38)(H2,30,32,33,35,39);4-9,12-14,16,18,20-21,24H,3,10-11H2,1-2H3,(H2,26,27,28,30,33);4-14,16,18,20-21,24H,3H2,1-2H3,(H2,26,27,28,30,33);3-8,11-13,15,17,19-20,23H,2,9-10H2,1H3,(H,31,32)(H2,25,26,27,29,33);3-12,14-15,17-18,21H,2H2,1H3,(H2,23,24,25,27,30);2H,1H3/b11-10+;;;;;/t20-,21+,23?,24+,27-;2*16-,18+,20?,21+,24-;15-,17+,19?,20+,23-;14-,15+,17?,18+,21-;/m11111./s1.

What are the key properties of 2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate?

2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate has a molecular weight of 2579.65 g/mol, XLogP of 12.11, 39 rotatable bonds, 13 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]pyridine-3-carboxylic acid;3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid;1-[9-[(2S,3aS,4R,6S)-6-formyl-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea;methanol;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate;methyl 3-[(2S,3aS,4R,6R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate is sourced from PubChem (CID 159449010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).