(3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride

C116H163Cl3N15O41P3 — CID 157316485

IUPAC(3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride
SMILESC.C.CC1(C)O[C@H]2O[C@](C)(CO)[C@@H](O)[C@H]2O1.CC[C@@]1(C)OC(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1C.CC[C@@]1(C)O[C@@H](n2cnc3c(C)ncnc32)C(OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1.CC[C@@]1(C)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1C.CC[C@@]1(C)O[C@H](O)[C@H](O)[C@@H]1C.CO.C[C@]1(CO)O[C@@H](n2cnc3c(N)ncnc32)C(O)[C@H]1O.C[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3C(N)=NC=NC32)C(O)[C@H]1O.Cl.N.O=C(Cl)c1ccccc1.O=C(Cl)c1ccccc1
InChIInChI=1S/C27H26N4O5.C22H24O5.C11H20N5O13P3.C11H15N5O4.C11H20O3.C9H16O5.C8H16O3.2C7H5ClO.CH4O.2CH4.ClH.H3N/c1-4-27(3)22(35-26(33)19-13-9-6-10-14-19)21(34-25(32)18-11-7-5-8-12-18)24(36-27)31-16-30-20-17(2)28-15-29-23(20)31;1-4-22(3)15(2)18(25-19(23)16-11-7-5-8-12-16)21(27-22)26-20(24)17-13-9-6-10-14-17;1-11(2-26-31(22,23)29-32(24,25)28-30(19,20)21)7(18)6(17)10(27-11)16-4-15-5-8(12)13-3-14-9(5)16;1-11(2-17)7(19)6(18)10(20-11)16-4-15-5-8(12)13-3-14-9(5)16;1-6-11(5)7(2)8-9(14-11)13-10(3,4)12-8;1-8(2)12-5-6(11)9(3,4-10)14-7(5)13-8;1-4-8(3)5(2)6(9)7(10)11-8;2*8-7(9)6-4-2-1-3-5-6;1-2;;;;/h5-16,21-22,24H,4H2,1-3H3;5-15,18,21H,4H2,1-3H3;3-7,9-10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21);3-4,6-7,10,17-19H,2H2,1H3,(H2,12,13,14);7-9H,6H2,1-5H3;5-7,10-11H,4H2,1-3H3;5-7,9-10H,4H2,1-3H3;2*1-5H;2H,1H3;2*1H4;1H;1H3/t21?,22-,24-,27-;15-,18+,21?,22+;5?,6?,7-,9?,10-,11-;6?,7-,10-,11-;7-,8+,9-,11+;5-,6+,7+,9-;5-,6+,7-,8+;;;;;;;/m1011010......./s1
InChIKeyDQWSNPPHWMEKGS-JFMQWHGISA-N
MW2622.92 g/mol
LogP12.53
Rot. Bonds26

About (3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride

(3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride (PubChem CID 157316485) has the molecular formula C116H163Cl3N15O41P3 and a molecular weight of 2622.92 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride
PubChem CID157316485
Molecular FormulaC116H163Cl3N15O41P3
Molecular Weight2622.92 g/mol
Exact Mass2619.94
IUPAC Name(3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride
SMILESC.C.CC1(C)O[C@H]2O[C@](C)(CO)[C@@H](O)[C@H]2O1.CC[C@@]1(C)OC(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1C.CC[C@@]1(C)O[C@@H](n2cnc3c(C)ncnc32)C(OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1.CC[C@@]1(C)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1C.CC[C@@]1(C)O[C@H](O)[C@H](O)[C@@H]1C.CO.C[C@]1(CO)O[C@@H](n2cnc3c(N)ncnc32)C(O)[C@H]1O.C[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3C(N)=NC=NC32)C(O)[C@H]1O.Cl.N.O=C(Cl)c1ccccc1.O=C(Cl)c1ccccc1
InChIInChI=1S/C27H26N4O5.C22H24O5.C11H20N5O13P3.C11H15N5O4.C11H20O3.C9H16O5.C8H16O3.2C7H5ClO.CH4O.2CH4.ClH.H3N/c1-4-27(3)22(35-26(33)19-13-9-6-10-14-19)21(34-25(32)18-11-7-5-8-12-18)24(36-27)31-16-30-20-17(2)28-15-29-23(20)31;1-4-22(3)15(2)18(25-19(23)16-11-7-5-8-12-16)21(27-22)26-20(24)17-13-9-6-10-14-17;1-11(2-26-31(22,23)29-32(24,25)28-30(19,20)21)7(18)6(17)10(27-11)16-4-15-5-8(12)13-3-14-9(5)16;1-11(2-17)7(19)6(18)10(20-11)16-4-15-5-8(12)13-3-14-9(5)16;1-6-11(5)7(2)8-9(14-11)13-10(3,4)12-8;1-8(2)12-5-6(11)9(3,4-10)14-7(5)13-8;1-4-8(3)5(2)6(9)7(10)11-8;2*8-7(9)6-4-2-1-3-5-6;1-2;;;;/h5-16,21-22,24H,4H2,1-3H3;5-15,18,21H,4H2,1-3H3;3-7,9-10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21);3-4,6-7,10,17-19H,2H2,1H3,(H2,12,13,14);7-9H,6H2,1-5H3;5-7,10-11H,4H2,1-3H3;5-7,9-10H,4H2,1-3H3;2*1-5H;2H,1H3;2*1H4;1H;1H3/t21?,22-,24-,27-;15-,18+,21?,22+;5?,6?,7-,9?,10-,11-;6?,7-,10-,11-;7-,8+,9-,11+;5-,6+,7+,9-;5-,6+,7-,8+;;;;;;;/m1011010......./s1
InChIKeyDQWSNPPHWMEKGS-JFMQWHGISA-N
XLogP12.53
TPSA817.55 Ų
H-Bond Donors17
H-Bond Acceptors52
Rotatable Bonds26
Heavy Atoms178
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002622.92
LogP ≤ 512.53
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride?
The IUPAC name of (3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride (CID 157316485) is (3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride.
What is the SMILES notation for (3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride?
The canonical SMILES for (3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride is C.C.CC1(C)O[C@H]2O[C@](C)(CO)[C@@H](O)[C@H]2O1.CC[C@@]1(C)OC(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1C.CC[C@@]1(C)O[C@@H](n2cnc3c(C)ncnc32)C(OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1.CC[C@@]1(C)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1C.CC[C@@]1(C)O[C@H](O)[C@H](O)[C@@H]1C.CO.C[C@]1(CO)O[C@@H](n2cnc3c(N)ncnc32)C(O)[C@H]1O.C[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3C(N)=NC=NC32)C(O)[C@H]1O.Cl.N.O=C(Cl)c1ccccc1.O=C(Cl)c1ccccc1.
What is the InChIKey of (3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride?
The InChIKey is DQWSNPPHWMEKGS-JFMQWHGISA-N. The full InChI is InChI=1S/C27H26N4O5.C22H24O5.C11H20N5O13P3.C11H15N5O4.C11H20O3.C9H16O5.C8H16O3.2C7H5ClO.CH4O.2CH4.ClH.H3N/c1-4-27(3)22(35-26(33)19-13-9-6-10-14-19)21(34-25(32)18-11-7-5-8-12-18)24(36-27)31-16-30-20-17(2)28-15-29-23(20)31;1-4-22(3)15(2)18(25-19(23)16-11-7-5-8-12-16)21(27-22)26-20(24)17-13-9-6-10-14-17;1-11(2-26-31(22,23)29-32(24,25)28-30(19,20)21)7(18)6(17)10(27-11)16-4-15-5-8(12)13-3-14-9(5)16;1-11(2-17)7(19)6(18)10(20-11)16-4-15-5-8(12)13-3-14-9(5)16;1-6-11(5)7(2)8-9(14-11)13-10(3,4)12-8;1-8(2)12-5-6(11)9(3,4-10)14-7(5)13-8;1-4-8(3)5(2)6(9)7(10)11-8;2*8-7(9)6-4-2-1-3-5-6;1-2;;;;/h5-16,21-22,24H,4H2,1-3H3;5-15,18,21H,4H2,1-3H3;3-7,9-10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21);3-4,6-7,10,17-19H,2H2,1H3,(H2,12,13,14);7-9H,6H2,1-5H3;5-7,10-11H,4H2,1-3H3;5-7,9-10H,4H2,1-3H3;2*1-5H;2H,1H3;2*1H4;1H;1H3/t21?,22-,24-,27-;15-,18+,21?,22+;5?,6?,7-,9?,10-,11-;6?,7-,10-,11-;7-,8+,9-,11+;5-,6+,7+,9-;5-,6+,7-,8+;;;;;;;/m1011010......./s1.
What are the key properties of (3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride?
(3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride has a molecular weight of 2622.92 g/mol, XLogP of 12.53, 26 rotatable bonds, 17 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-5-ethyl-2,2,5,6-tetramethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;[[(2R,3R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol;azane;benzoyl chloride;[(3R,4S,5R)-2-benzoyloxy-5-ethyl-4,5-dimethyloxolan-3-yl] benzoate;[(2R,4R,5R)-4-benzoyloxy-5-ethyl-5-methyl-2-(6-methylpurin-9-yl)oxolan-3-yl] benzoate;(2S,3R,4S,5R)-5-ethyl-4,5-dimethyloxolane-2,3-diol;methane;methanol;hydrochloride is sourced from PubChem (CID 157316485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).