(1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate

C77H111N21O38P6 — CID 160615192

About (1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate

(1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate (PubChem CID 160615192) has the molecular formula C77H111N21O38P6 and a molecular weight of 2124.69 g/mol. Its IUPAC name is (1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate.

Molecular Properties

• Compound Name: (1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate
• PubChem CID: 160615192
• Molecular Formula: C77H111N21O38P6
• Molecular Weight: 2124.69 g/mol
• Exact Mass: 2123.58
• IUPAC Name: (1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate
• SMILES: C[C@H](O)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@]2(C)OC(C)(C)O[C@H]12.C[C@H](OP(=O)(O)O)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@](C)(O)[C@@H]1O.C[C@H](OP(=O)(O)O)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@]2(C)OC(C)(C)O[C@H]12.C[C@H](OP(=O)(O)OCCC#N)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@]2(C)OC(C)(C)O[C@H]12.C[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@](C)(O)[C@@H]1O
• InChI: InChI=1S/C19H26N5O7P.C16H23N4O7P.C16H22N4O4.C13H21N4O13P3.C13H19N4O7P/c1-11(30-32(25,26)27-9-5-7-20)13-14-19(4,31-18(2,3)29-14)17(28-13)24-8-6-12-15(21)22-10-23-16(12)24;1-8(26-28(21,22)23)10-11-16(4,27-15(2,3)25-11)14(24-10)20-6-5-9-12(17)18-7-19-13(9)20;1-8(21)10-11-16(4,24-15(2,3)23-11)14(22-10)20-6-5-9-12(17)18-7-19-13(9)20;1-6(28-32(23,24)30-33(25,26)29-31(20,21)22)8-9(18)13(2,19)12(27-8)17-4-3-7-10(14)15-5-16-11(7)17;1-6(24-25(20,21)22)8-9(18)13(2,19)12(23-8)17-4-3-7-10(14)15-5-16-11(7)17/h6,8,10-11,13-14,17H,5,9H2,1-4H3,(H,25,26)(H2,21,22,23);5-8,10-11,14H,1-4H3,(H2,17,18,19)(H2,21,22,23);5-8,10-11,14,21H,1-4H3,(H2,17,18,19);3-6,8-9,12,18-19H,1-2H3,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22);3-6,8-9,12,18-19H,1-2H3,(H2,14,15,16)(H2,20,21,22)/t11-,13+,14+,17+,19+;2*8-,10+,11+,14+,16+;2*6-,8+,9+,12+,13+/m00000/s1
• InChIKey: RFZPRMFZXYLBME-QWCUWERDSA-N
• XLogP: 4.05
• TPSA: 859.22 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 50
• Rotatable Bonds: 25
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2124.69
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate?

The IUPAC name of (1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate (CID 160615192) is (1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate.

What is the SMILES notation for (1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate?

The canonical SMILES for (1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate is C[C@H](O)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@]2(C)OC(C)(C)O[C@H]12.C[C@H](OP(=O)(O)O)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@](C)(O)[C@@H]1O.C[C@H](OP(=O)(O)O)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@]2(C)OC(C)(C)O[C@H]12.C[C@H](OP(=O)(O)OCCC#N)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@]2(C)OC(C)(C)O[C@H]12.C[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@](C)(O)[C@@H]1O.

What is the InChIKey of (1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate?

The InChIKey is RFZPRMFZXYLBME-QWCUWERDSA-N. The full InChI is InChI=1S/C19H26N5O7P.C16H23N4O7P.C16H22N4O4.C13H21N4O13P3.C13H19N4O7P/c1-11(30-32(25,26)27-9-5-7-20)13-14-19(4,31-18(2,3)29-14)17(28-13)24-8-6-12-15(21)22-10-23-16(12)24;1-8(26-28(21,22)23)10-11-16(4,27-15(2,3)25-11)14(24-10)20-6-5-9-12(17)18-7-19-13(9)20;1-8(21)10-11-16(4,24-15(2,3)23-11)14(22-10)20-6-5-9-12(17)18-7-19-13(9)20;1-6(28-32(23,24)30-33(25,26)29-31(20,21)22)8-9(18)13(2,19)12(27-8)17-4-3-7-10(14)15-5-16-11(7)17;1-6(24-25(20,21)22)8-9(18)13(2,19)12(23-8)17-4-3-7-10(14)15-5-16-11(7)17/h6,8,10-11,13-14,17H,5,9H2,1-4H3,(H,25,26)(H2,21,22,23);5-8,10-11,14H,1-4H3,(H2,17,18,19)(H2,21,22,23);5-8,10-11,14,21H,1-4H3,(H2,17,18,19);3-6,8-9,12,18-19H,1-2H3,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22);3-6,8-9,12,18-19H,1-2H3,(H2,14,15,16)(H2,20,21,22)/t11-,13+,14+,17+,19+;2*8-,10+,11+,14+,16+;2*6-,8+,9+,12+,13+/m00000/s1.

What are the key properties of (1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate?

(1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate has a molecular weight of 2124.69 g/mol, XLogP of 4.05, 25 rotatable bonds, 19 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] 2-cyanoethyl hydrogen phosphate;[(1S)-1-[(3aR,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethyl] dihydrogen phosphate;[[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1S)-1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl] dihydrogen phosphate is sourced from PubChem (CID 160615192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).