[(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride

C59H79Br4Cl2N21O23 — CID 161087936

IUPAC[(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride
SMILESCC(=O)C[C@H](C(=O)OC[C@H]1O[C@@H](n2c(Br)nc3c(=O)[nH]c(N)nc32)C2OC(C)(C)O[C@@H]21)C(C)C.CC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2c(Br)nc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O.CC1(C)OC2[C@H](n3c(Br)nc4c(=O)[nH]c(N)nc43)O[C@H](CO)[C@H]2O1.Cl.Cl.Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C21H28BrN5O7.C15H21BrN6O6.C13H16BrN5O5.C10H12BrN5O5.2ClH/c1-8(2)10(6-9(3)28)18(30)31-7-11-13-14(34-21(4,5)33-13)17(32-11)27-15-12(24-19(27)22)16(29)26-20(23)25-15;1-4(2)6(17)13(26)27-3-5-8(23)9(24)12(28-5)22-10-7(19-14(22)16)11(25)21-15(18)20-10;1-13(2)23-6-4(3-20)22-10(7(6)24-13)19-8-5(16-11(19)14)9(21)18-12(15)17-8;11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8;;/h8,10-11,13-14,17H,6-7H2,1-5H3,(H3,23,25,26,29);4-6,8-9,12,23-24H,3,17H2,1-2H3,(H3,18,20,21,25);4,6-7,10,20H,3H2,1-2H3,(H3,15,17,18,21);2,4-5,8,17-19H,1H2,(H3,12,14,15,20);2*1H/t10-,11+,13+,14?,17+;5-,6+,8-,9-,12-;4-,6-,7?,10-;2-,4-,5-,8-;;/m0111../s1
InChIKeyHDMYNRPTXRUXMB-UIWKEUJBSA-N
MW1840.93 g/mol
LogP-0.92
Rot. Bonds16

About [(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride

[(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride (PubChem CID 161087936) has the molecular formula C59H79Br4Cl2N21O23 and a molecular weight of 1840.93 g/mol. Its IUPAC name is [(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride.

Molecular Properties

Compound Name[(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride
PubChem CID161087936
Molecular FormulaC59H79Br4Cl2N21O23
Molecular Weight1840.93 g/mol
Exact Mass1835.18
IUPAC Name[(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride
SMILESCC(=O)C[C@H](C(=O)OC[C@H]1O[C@@H](n2c(Br)nc3c(=O)[nH]c(N)nc32)C2OC(C)(C)O[C@@H]21)C(C)C.CC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2c(Br)nc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O.CC1(C)OC2[C@H](n3c(Br)nc4c(=O)[nH]c(N)nc43)O[C@H](CO)[C@H]2O1.Cl.Cl.Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C21H28BrN5O7.C15H21BrN6O6.C13H16BrN5O5.C10H12BrN5O5.2ClH/c1-8(2)10(6-9(3)28)18(30)31-7-11-13-14(34-21(4,5)33-13)17(32-11)27-15-12(24-19(27)22)16(29)26-20(23)25-15;1-4(2)6(17)13(26)27-3-5-8(23)9(24)12(28-5)22-10-7(19-14(22)16)11(25)21-15(18)20-10;1-13(2)23-6-4(3-20)22-10(7(6)24-13)19-8-5(16-11(19)14)9(21)18-12(15)17-8;11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8;;/h8,10-11,13-14,17H,6-7H2,1-5H3,(H3,23,25,26,29);4-6,8-9,12,23-24H,3,17H2,1-2H3,(H3,18,20,21,25);4,6-7,10,20H,3H2,1-2H3,(H3,15,17,18,21);2,4-5,8,17-19H,1H2,(H3,12,14,15,20);2*1H/t10-,11+,13+,14?,17+;5-,6+,8-,9-,12-;4-,6-,7?,10-;2-,4-,5-,8-;;/m0111../s1
InChIKeyHDMYNRPTXRUXMB-UIWKEUJBSA-N
XLogP-0.92
TPSA649.27 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001840.93
LogP ≤ 5-0.92
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Analyze [(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride with MolForge

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Related Compounds

[(4R,6R,6aR)-4-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;7-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;[(2R,3S,4R,5R)-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride
CID 157139589
2-amino-8-bromo-9-[(2S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;hydrate
CID 136835827
8-Bromoguanosine 5'-monophosphate sodium salt, 95-98%
CID 135445684
2-amino-8-deuteriooxy-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137193922
sodium [5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 155897225
CID 158799054
CID 158799054
[(3aR,4R,6R,6aR)-4-[2-amino-8-[2-[4-[2-(4-tert-butylphenyl)ethynyl]phenyl]ethynyl]-6-oxo-1H-purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl tert-butyl carbonate
CID 177459049
tert-butyl N-[[2-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-8-yl]methyl]carbamate
CID 170902245
2-amino-9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-methylsulfonyl-1H-purin-6-one
CID 135976322
2-[[2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-8-yl]sulfanyl]acetic acid
CID 137036987
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(ethylamino)-1H-purin-6-one
CID 135481452
2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-nitro-1H-purin-6-one
CID 137176532

Frequently Asked Questions

What is the IUPAC name of [(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride?
The IUPAC name of [(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride (CID 161087936) is [(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride.
What is the SMILES notation for [(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride?
The canonical SMILES for [(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride is CC(=O)C[C@H](C(=O)OC[C@H]1O[C@@H](n2c(Br)nc3c(=O)[nH]c(N)nc32)C2OC(C)(C)O[C@@H]21)C(C)C.CC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2c(Br)nc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O.CC1(C)OC2[C@H](n3c(Br)nc4c(=O)[nH]c(N)nc43)O[C@H](CO)[C@H]2O1.Cl.Cl.Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1.
What is the InChIKey of [(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride?
The InChIKey is HDMYNRPTXRUXMB-UIWKEUJBSA-N. The full InChI is InChI=1S/C21H28BrN5O7.C15H21BrN6O6.C13H16BrN5O5.C10H12BrN5O5.2ClH/c1-8(2)10(6-9(3)28)18(30)31-7-11-13-14(34-21(4,5)33-13)17(32-11)27-15-12(24-19(27)22)16(29)26-20(23)25-15;1-4(2)6(17)13(26)27-3-5-8(23)9(24)12(28-5)22-10-7(19-14(22)16)11(25)21-15(18)20-10;1-13(2)23-6-4(3-20)22-10(7(6)24-13)19-8-5(16-11(19)14)9(21)18-12(15)17-8;11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8;;/h8,10-11,13-14,17H,6-7H2,1-5H3,(H3,23,25,26,29);4-6,8-9,12,23-24H,3,17H2,1-2H3,(H3,18,20,21,25);4,6-7,10,20H,3H2,1-2H3,(H3,15,17,18,21);2,4-5,8,17-19H,1H2,(H3,12,14,15,20);2*1H/t10-,11+,13+,14?,17+;5-,6+,8-,9-,12-;4-,6-,7?,10-;2-,4-,5-,8-;;/m0111../s1.
What are the key properties of [(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride?
[(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride has a molecular weight of 1840.93 g/mol, XLogP of -0.92, 16 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R,6aR)-4-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-4-oxo-2-propan-2-ylpentanoate;9-[(4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-8-bromo-1H-purin-6-one;2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;dihydrochloride is sourced from PubChem (CID 161087936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).