9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane

C100H160Cl2N25O26P38-3 — CID 157491377

IUPAC9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane
SMILESC.CC(=O)OC1O[C@H](C(C)C)[C@@H](C)[C@H]1OC(=O)c1ccccc1.CC(C)[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@H](OC(=O)c2ccccc2)[C@@H]1C.COC1O[C@H]2[C@@H](O1)[C@H](n1cnc3c(=O)[nH]c(N)nc31)O[C@@H]2[C@@H](C)O.COc1ccc(C(Nc2nc3c(ncn3[C@@H]3O[C@H]([C@@H](C)O)[C@H]4OC(OC)O[C@H]43)c(=O)[nH]2)(c2ccccc2)c2ccccc2)cc1.C[C@@H](O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O.Nc1nc(Cl)c2[nH]cnc2n1.PP.PP(P)P(P)P(P(P)P)P(P)P.[PH-]P(P(P)P)P(P(P)P)P(P)P.[PH-]P(P)P([PH-])P(P(P)P)P(P)P
InChIInChI=1S/C33H33N5O7.C20H22ClN5O3.C17H22O5.C13H17N5O6.C11H15N5O5.C5H4ClN5.CH4.H14P12.H13P12.H12P12.H4P2/c1-19(39)25-26-27(45-32(42-3)44-26)30(43-25)38-18-34-24-28(38)35-31(36-29(24)40)37-33(20-10-6-4-7-11-20,21-12-8-5-9-13-21)22-14-16-23(41-2)17-15-22;1-10(2)14-11(3)15(29-19(27)12-7-5-4-6-8-12)18(28-14)26-9-23-13-16(21)24-20(22)25-17(13)26;1-10(2)14-11(3)15(17(22-14)20-12(4)18)21-16(19)13-8-6-5-7-9-13;1-4(19)6-7-8(24-13(21-2)23-7)11(22-6)18-3-15-5-9(18)16-12(14)17-10(5)20;1-3(17)7-5(18)6(19)10(21-7)16-2-13-4-8(16)14-11(12)15-9(4)20;6-3-2-4(9-1-8-2)11-5(7)10-3;;3*1-8(2)11(7)12(9(3)4)10(5)6;1-2/h4-19,25-27,30,32,39H,1-3H3,(H2,35,36,37,40);4-11,14-15,18H,1-3H3,(H2,22,24,25);5-11,14-15,17H,1-4H3;3-4,6-8,11,13,19H,1-2H3,(H3,14,16,17,20);2-3,5-7,10,17-19H,1H3,(H3,12,14,15,20);1H,(H3,7,8,9,10,11);1H4;1-7H2;7H,1-6H2;1,7H,2-6H2;1-2H2/q;;;;;;;;-1;-2;/t19-,25-,26-,27-,30-,32?;11-,14-,15-,18-;11-,14-,15-,17?;4-,6-,7-,8-,11-,13?;3-,5+,6-,7-,10-;;;;;;/m11111....../s1
InChIKeyURIWDIZBYPGFCA-VQPMOFSZSA-N
MW3376.45 g/mol
LogP28.63
Rot. Bonds34

About 9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane

9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane (PubChem CID 157491377) has the molecular formula C100H160Cl2N25O26P38-3 and a molecular weight of 3376.45 g/mol. Its IUPAC name is 9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane.

Molecular Properties

Compound Name9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane
PubChem CID157491377
Molecular FormulaC100H160Cl2N25O26P38-3
Molecular Weight3376.45 g/mol
Exact Mass3374.14
IUPAC Name9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane
SMILESC.CC(=O)OC1O[C@H](C(C)C)[C@@H](C)[C@H]1OC(=O)c1ccccc1.CC(C)[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@H](OC(=O)c2ccccc2)[C@@H]1C.COC1O[C@H]2[C@@H](O1)[C@H](n1cnc3c(=O)[nH]c(N)nc31)O[C@@H]2[C@@H](C)O.COc1ccc(C(Nc2nc3c(ncn3[C@@H]3O[C@H]([C@@H](C)O)[C@H]4OC(OC)O[C@H]43)c(=O)[nH]2)(c2ccccc2)c2ccccc2)cc1.C[C@@H](O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O.Nc1nc(Cl)c2[nH]cnc2n1.PP.PP(P)P(P)P(P(P)P)P(P)P.[PH-]P(P(P)P)P(P(P)P)P(P)P.[PH-]P(P)P([PH-])P(P(P)P)P(P)P
InChIInChI=1S/C33H33N5O7.C20H22ClN5O3.C17H22O5.C13H17N5O6.C11H15N5O5.C5H4ClN5.CH4.H14P12.H13P12.H12P12.H4P2/c1-19(39)25-26-27(45-32(42-3)44-26)30(43-25)38-18-34-24-28(38)35-31(36-29(24)40)37-33(20-10-6-4-7-11-20,21-12-8-5-9-13-21)22-14-16-23(41-2)17-15-22;1-10(2)14-11(3)15(29-19(27)12-7-5-4-6-8-12)18(28-14)26-9-23-13-16(21)24-20(22)25-17(13)26;1-10(2)14-11(3)15(17(22-14)20-12(4)18)21-16(19)13-8-6-5-7-9-13;1-4(19)6-7-8(24-13(21-2)23-7)11(22-6)18-3-15-5-9(18)16-12(14)17-10(5)20;1-3(17)7-5(18)6(19)10(21-7)16-2-13-4-8(16)14-11(12)15-9(4)20;6-3-2-4(9-1-8-2)11-5(7)10-3;;3*1-8(2)11(7)12(9(3)4)10(5)6;1-2/h4-19,25-27,30,32,39H,1-3H3,(H2,35,36,37,40);4-11,14-15,18H,1-3H3,(H2,22,24,25);5-11,14-15,17H,1-4H3;3-4,6-8,11,13,19H,1-2H3,(H3,14,16,17,20);2-3,5-7,10,17-19H,1H3,(H3,12,14,15,20);1H,(H3,7,8,9,10,11);1H4;1-7H2;7H,1-6H2;1,7H,2-6H2;1-2H2/q;;;;;;;;-1;-2;/t19-,25-,26-,27-,30-,32?;11-,14-,15-,18-;11-,14-,15-,17?;4-,6-,7-,8-,11-,13?;3-,5+,6-,7-,10-;;;;;;/m11111....../s1
InChIKeyURIWDIZBYPGFCA-VQPMOFSZSA-N
XLogP28.63
TPSA695.69 Ų
H-Bond Donors14
H-Bond Acceptors47
Rotatable Bonds34
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003376.45
LogP ≤ 528.63
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane?
The IUPAC name of 9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane (CID 157491377) is 9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane.
What is the SMILES notation for 9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane?
The canonical SMILES for 9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane is C.CC(=O)OC1O[C@H](C(C)C)[C@@H](C)[C@H]1OC(=O)c1ccccc1.CC(C)[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@H](OC(=O)c2ccccc2)[C@@H]1C.COC1O[C@H]2[C@@H](O1)[C@H](n1cnc3c(=O)[nH]c(N)nc31)O[C@@H]2[C@@H](C)O.COc1ccc(C(Nc2nc3c(ncn3[C@@H]3O[C@H]([C@@H](C)O)[C@H]4OC(OC)O[C@H]43)c(=O)[nH]2)(c2ccccc2)c2ccccc2)cc1.C[C@@H](O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O.Nc1nc(Cl)c2[nH]cnc2n1.PP.PP(P)P(P)P(P(P)P)P(P)P.[PH-]P(P(P)P)P(P(P)P)P(P)P.[PH-]P(P)P([PH-])P(P(P)P)P(P)P.
What is the InChIKey of 9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane?
The InChIKey is URIWDIZBYPGFCA-VQPMOFSZSA-N. The full InChI is InChI=1S/C33H33N5O7.C20H22ClN5O3.C17H22O5.C13H17N5O6.C11H15N5O5.C5H4ClN5.CH4.H14P12.H13P12.H12P12.H4P2/c1-19(39)25-26-27(45-32(42-3)44-26)30(43-25)38-18-34-24-28(38)35-31(36-29(24)40)37-33(20-10-6-4-7-11-20,21-12-8-5-9-13-21)22-14-16-23(41-2)17-15-22;1-10(2)14-11(3)15(29-19(27)12-7-5-4-6-8-12)18(28-14)26-9-23-13-16(21)24-20(22)25-17(13)26;1-10(2)14-11(3)15(17(22-14)20-12(4)18)21-16(19)13-8-6-5-7-9-13;1-4(19)6-7-8(24-13(21-2)23-7)11(22-6)18-3-15-5-9(18)16-12(14)17-10(5)20;1-3(17)7-5(18)6(19)10(21-7)16-2-13-4-8(16)14-11(12)15-9(4)20;6-3-2-4(9-1-8-2)11-5(7)10-3;;3*1-8(2)11(7)12(9(3)4)10(5)6;1-2/h4-19,25-27,30,32,39H,1-3H3,(H2,35,36,37,40);4-11,14-15,18H,1-3H3,(H2,22,24,25);5-11,14-15,17H,1-4H3;3-4,6-8,11,13,19H,1-2H3,(H3,14,16,17,20);2-3,5-7,10,17-19H,1H3,(H3,12,14,15,20);1H,(H3,7,8,9,10,11);1H4;1-7H2;7H,1-6H2;1,7H,2-6H2;1-2H2/q;;;;;;;;-1;-2;/t19-,25-,26-,27-,30-,32?;11-,14-,15-,18-;11-,14-,15-,17?;4-,6-,7-,8-,11-,13?;3-,5+,6-,7-,10-;;;;;;/m11111....../s1.
What are the key properties of 9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane?
9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane has a molecular weight of 3376.45 g/mol, XLogP of 28.63, 34 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane is sourced from PubChem (CID 157491377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).