2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid

C89H110N20O16 — CID 160642913

IUPAC2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCCNC(=O)Nc1ncnc2c1ncn2C1CC(CCC2CCCC2C(=O)O)C2O[C@H](/C=C/c3ccccc3)OC21.CCNC(=O)Nc1ncnc2c1ncn2C1CC(CNCC2CCCCC2C(=O)O)C2O[C@H](/C=C/c3ccccc3)OC21.CCNC(=O)Nc1ncnc2c1ncn2C1OC(CNCC2CCCCC2C(=O)O)C2O[C@H](c3ccccc3)OC21
InChIInChI=1S/C31H39N7O5.C30H36N6O5.C28H35N7O6/c1-2-33-31(41)37-28-25-29(35-17-34-28)38(18-36-25)23-14-21(16-32-15-20-10-6-7-11-22(20)30(39)40)26-27(23)43-24(42-26)13-12-19-8-4-3-5-9-19;1-2-31-30(39)35-27-24-28(33-16-32-27)36(17-34-24)22-15-20(13-12-19-9-6-10-21(19)29(37)38)25-26(22)41-23(40-25)14-11-18-7-4-3-5-8-18;1-2-30-28(38)34-23-20-24(32-14-31-23)35(15-33-20)25-22-21(40-27(41-22)16-8-4-3-5-9-16)19(39-25)13-29-12-17-10-6-7-11-18(17)26(36)37/h3-5,8-9,12-13,17-18,20-24,26-27,32H,2,6-7,10-11,14-16H2,1H3,(H,39,40)(H2,33,34,35,37,41);3-5,7-8,11,14,16-17,19-23,25-26H,2,6,9-10,12-13,15H2,1H3,(H,37,38)(H2,31,32,33,35,39);3-5,8-9,14-15,17-19,21-22,25,27,29H,2,6-7,10-13H2,1H3,(H,36,37)(H2,30,31,32,34,38)/b13-12+;14-11+;/t20?,21?,22?,23?,24-,26?,27?;19?,20?,21?,22?,23-,25?,26?;17?,18?,19?,21?,22?,25?,27-/m000/s1
InChIKeyRJKJUXJLKHIBPB-SQXFSBNASA-N
MW1715.98 g/mol
LogP11.29
Rot. Bonds28

About 2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid

2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 160642913) has the molecular formula C89H110N20O16 and a molecular weight of 1715.98 g/mol. Its IUPAC name is 2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID160642913
Molecular FormulaC89H110N20O16
Molecular Weight1715.98 g/mol
Exact Mass1714.84
IUPAC Name2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCCNC(=O)Nc1ncnc2c1ncn2C1CC(CCC2CCCC2C(=O)O)C2O[C@H](/C=C/c3ccccc3)OC21.CCNC(=O)Nc1ncnc2c1ncn2C1CC(CNCC2CCCCC2C(=O)O)C2O[C@H](/C=C/c3ccccc3)OC21.CCNC(=O)Nc1ncnc2c1ncn2C1OC(CNCC2CCCCC2C(=O)O)C2O[C@H](c3ccccc3)OC21
InChIInChI=1S/C31H39N7O5.C30H36N6O5.C28H35N7O6/c1-2-33-31(41)37-28-25-29(35-17-34-28)38(18-36-25)23-14-21(16-32-15-20-10-6-7-11-22(20)30(39)40)26-27(23)43-24(42-26)13-12-19-8-4-3-5-9-19;1-2-31-30(39)35-27-24-28(33-16-32-27)36(17-34-24)22-15-20(13-12-19-9-6-10-21(19)29(37)38)25-26(22)41-23(40-25)14-11-18-7-4-3-5-8-18;1-2-30-28(38)34-23-20-24(32-14-31-23)35(15-33-20)25-22-21(40-27(41-22)16-8-4-3-5-9-16)19(39-25)13-29-12-17-10-6-7-11-18(17)26(36)37/h3-5,8-9,12-13,17-18,20-24,26-27,32H,2,6-7,10-11,14-16H2,1H3,(H,39,40)(H2,33,34,35,37,41);3-5,7-8,11,14,16-17,19-23,25-26H,2,6,9-10,12-13,15H2,1H3,(H,37,38)(H2,31,32,33,35,39);3-5,8-9,14-15,17-19,21-22,25,27,29H,2,6-7,10-13H2,1H3,(H,36,37)(H2,30,31,32,34,38)/b13-12+;14-11+;/t20?,21?,22?,23?,24-,26?,27?;19?,20?,21?,22?,23-,25?,26?;17?,18?,19?,21?,22?,25?,27-/m000/s1
InChIKeyRJKJUXJLKHIBPB-SQXFSBNASA-N
XLogP11.29
TPSA454.76 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001715.98
LogP ≤ 511.29
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze 2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]cyclopropane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclopropane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopropane-1-carboxylic acid
CID 158727083
2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid
CID 59658897
2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]pyridine-3-carboxylic acid;2-[3-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]propyl]pyridine-3-carboxylic acid
CID 161315527
4-[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]-4-oxobutanoic acid;2-[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylcarbamothioylamino]acetic acid;2-[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylcarbamothioylamino]acetic acid
CID 157323233
2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]pyridine-3-carboxylic acid;2-[3-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propyl]pyridine-3-carboxylic acid;2-[3-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]propyl]pyridine-3-carboxylic acid
CID 160969283
ethyl 2-[[(2R)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]benzoate;ethyl 2-[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]benzoate;ethyl 2-[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxymethyl]benzoate
CID 158331212
2-[[(2R,6aR)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylcarbamoyl]benzoic acid
CID 68744573
methyl 3-[(2R,6aR)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-(2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoate
CID 69330522
2-[2-[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]-2-oxoethyl]benzoic acid
CID 59658991
1-[9-[(2S,3aS,4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea
CID 58992499
1-[9-[(2S,3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea
CID 170896661
ethyl 2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]acetate
CID 59658937

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid (CID 160642913) is 2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid is CCNC(=O)Nc1ncnc2c1ncn2C1CC(CCC2CCCC2C(=O)O)C2O[C@H](/C=C/c3ccccc3)OC21.CCNC(=O)Nc1ncnc2c1ncn2C1CC(CNCC2CCCCC2C(=O)O)C2O[C@H](/C=C/c3ccccc3)OC21.CCNC(=O)Nc1ncnc2c1ncn2C1OC(CNCC2CCCCC2C(=O)O)C2O[C@H](c3ccccc3)OC21.
What is the InChIKey of 2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is RJKJUXJLKHIBPB-SQXFSBNASA-N. The full InChI is InChI=1S/C31H39N7O5.C30H36N6O5.C28H35N7O6/c1-2-33-31(41)37-28-25-29(35-17-34-28)38(18-36-25)23-14-21(16-32-15-20-10-6-7-11-22(20)30(39)40)26-27(23)43-24(42-26)13-12-19-8-4-3-5-9-19;1-2-31-30(39)35-27-24-28(33-16-32-27)36(17-34-24)22-15-20(13-12-19-9-6-10-21(19)29(37)38)25-26(22)41-23(40-25)14-11-18-7-4-3-5-8-18;1-2-30-28(38)34-23-20-24(32-14-31-23)35(15-33-20)25-22-21(40-27(41-22)16-8-4-3-5-9-16)19(39-25)13-29-12-17-10-6-7-11-18(17)26(36)37/h3-5,8-9,12-13,17-18,20-24,26-27,32H,2,6-7,10-11,14-16H2,1H3,(H,39,40)(H2,33,34,35,37,41);3-5,7-8,11,14,16-17,19-23,25-26H,2,6,9-10,12-13,15H2,1H3,(H,37,38)(H2,31,32,33,35,39);3-5,8-9,14-15,17-19,21-22,25,27,29H,2,6-7,10-13H2,1H3,(H,36,37)(H2,30,31,32,34,38)/b13-12+;14-11+;/t20?,21?,22?,23?,24-,26?,27?;19?,20?,21?,22?,23-,25?,26?;17?,18?,19?,21?,22?,25?,27-/m000/s1.
What are the key properties of 2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid?
2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 1715.98 g/mol, XLogP of 11.29, 28 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid;2-[2-[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]cyclopentane-1-carboxylic acid;2-[[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 160642913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).