(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate

C126H168Cl7N37O41 — CID 159748510

IUPAC(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate
SMILESCCOC(=O)C(=[N+]=[N-])C(C)=O.CCOC(=O)C(OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)C[C@@H]1C)C(C)=O.CCOC(=O)C(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C[C@@H]1O)C(C)=O.CC[C@H]1O[C@@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)C[C@@H]1C.CC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C[C@@H]1O.C[C@H]1C[C@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)O[C@@H]1CO.Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1.Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](COC(C(=O)O)C(=O)O)O1
InChIInChI=1S/C27H38ClN5O9.C22H32ClN5O5.C21H30ClN5O6.C16H20ClN5O6.C13H14ClN5O7.C11H14ClN5O2.C10H12ClN5O3.C6H8N2O3/c1-10-38-22(35)19(15(3)34)39-12-16-14(2)11-17(40-16)32-13-29-18-20(32)30-23(28)31-21(18)33(24(36)41-26(4,5)6)25(37)42-27(7,8)9;1-9-13-12(2)10-14(31-13)27-11-24-15-16(27)25-18(23)26-17(15)28(19(29)32-21(3,4)5)20(30)33-22(6,7)8;1-11-8-13(31-12(11)9-28)26-10-23-14-15(26)24-17(22)25-16(14)27(18(29)32-20(2,3)4)19(30)33-21(5,6)7;1-3-26-15(25)12(7(2)23)27-5-9-8(24)4-10(28-9)22-6-19-11-13(18)20-16(17)21-14(11)22;14-13-17-9(15)7-10(18-13)19(3-16-7)6-1-4(20)5(26-6)2-25-8(11(21)22)12(23)24;1-2-6-5(18)3-7(19-6)17-4-14-8-9(13)15-11(12)16-10(8)17;11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6;1-3-11-6(10)5(8-7)4(2)9/h13-14,16-17,19H,10-12H2,1-9H3;11-14H,9-10H2,1-8H3;10-13,28H,8-9H2,1-7H3;6,8-10,12,24H,3-5H2,1-2H3,(H2,18,20,21);3-6,8,20H,1-2H2,(H,21,22)(H,23,24)(H2,15,17,18);4-7,18H,2-3H2,1H3,(H2,13,15,16);3-6,17-18H,1-2H2,(H2,12,14,15);3H2,1-2H3/t14-,16+,17+,19?;12-,13+,14+;11-,12+,13+;8-,9+,10+,12?;4-,5+,6+;5-,6+,7+;4-,5+,6+;/m0000000./s1
InChIKeyNDIXHVXGTDIWPF-ORYJCOBPSA-N
MW3105.12 g/mol
LogP14.32
Rot. Bonds34

About (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate

(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate (PubChem CID 159748510) has the molecular formula C126H168Cl7N37O41 and a molecular weight of 3105.12 g/mol. Its IUPAC name is (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate.

Molecular Properties

Compound Name(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate
PubChem CID159748510
Molecular FormulaC126H168Cl7N37O41
Molecular Weight3105.12 g/mol
Exact Mass3100.00
IUPAC Name(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate
SMILESCCOC(=O)C(=[N+]=[N-])C(C)=O.CCOC(=O)C(OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)C[C@@H]1C)C(C)=O.CCOC(=O)C(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C[C@@H]1O)C(C)=O.CC[C@H]1O[C@@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)C[C@@H]1C.CC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C[C@@H]1O.C[C@H]1C[C@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)O[C@@H]1CO.Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1.Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](COC(C(=O)O)C(=O)O)O1
InChIInChI=1S/C27H38ClN5O9.C22H32ClN5O5.C21H30ClN5O6.C16H20ClN5O6.C13H14ClN5O7.C11H14ClN5O2.C10H12ClN5O3.C6H8N2O3/c1-10-38-22(35)19(15(3)34)39-12-16-14(2)11-17(40-16)32-13-29-18-20(32)30-23(28)31-21(18)33(24(36)41-26(4,5)6)25(37)42-27(7,8)9;1-9-13-12(2)10-14(31-13)27-11-24-15-16(27)25-18(23)26-17(15)28(19(29)32-21(3,4)5)20(30)33-22(6,7)8;1-11-8-13(31-12(11)9-28)26-10-23-14-15(26)24-17(22)25-16(14)27(18(29)32-20(2,3)4)19(30)33-21(5,6)7;1-3-26-15(25)12(7(2)23)27-5-9-8(24)4-10(28-9)22-6-19-11-13(18)20-16(17)21-14(11)22;14-13-17-9(15)7-10(18-13)19(3-16-7)6-1-4(20)5(26-6)2-25-8(11(21)22)12(23)24;1-2-6-5(18)3-7(19-6)17-4-14-8-9(13)15-11(12)16-10(8)17;11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6;1-3-11-6(10)5(8-7)4(2)9/h13-14,16-17,19H,10-12H2,1-9H3;11-14H,9-10H2,1-8H3;10-13,28H,8-9H2,1-7H3;6,8-10,12,24H,3-5H2,1-2H3,(H2,18,20,21);3-6,8,20H,1-2H2,(H,21,22)(H,23,24)(H2,15,17,18);4-7,18H,2-3H2,1H3,(H2,13,15,16);3-6,17-18H,1-2H2,(H2,12,14,15);3H2,1-2H3/t14-,16+,17+,19?;12-,13+,14+;11-,12+,13+;8-,9+,10+,12?;4-,5+,6+;5-,6+,7+;4-,5+,6+;/m0000000./s1
InChIKeyNDIXHVXGTDIWPF-ORYJCOBPSA-N
XLogP14.32
TPSA1031.59 Ų
H-Bond Donors12
H-Bond Acceptors71
Rotatable Bonds34
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003105.12
LogP ≤ 514.32
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1071

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate?
The IUPAC name of (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate (CID 159748510) is (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate.
What is the SMILES notation for (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate?
The canonical SMILES for (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate is CCOC(=O)C(=[N+]=[N-])C(C)=O.CCOC(=O)C(OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)C[C@@H]1C)C(C)=O.CCOC(=O)C(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C[C@@H]1O)C(C)=O.CC[C@H]1O[C@@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)C[C@@H]1C.CC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C[C@@H]1O.C[C@H]1C[C@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)O[C@@H]1CO.Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1.Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](COC(C(=O)O)C(=O)O)O1.
What is the InChIKey of (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate?
The InChIKey is NDIXHVXGTDIWPF-ORYJCOBPSA-N. The full InChI is InChI=1S/C27H38ClN5O9.C22H32ClN5O5.C21H30ClN5O6.C16H20ClN5O6.C13H14ClN5O7.C11H14ClN5O2.C10H12ClN5O3.C6H8N2O3/c1-10-38-22(35)19(15(3)34)39-12-16-14(2)11-17(40-16)32-13-29-18-20(32)30-23(28)31-21(18)33(24(36)41-26(4,5)6)25(37)42-27(7,8)9;1-9-13-12(2)10-14(31-13)27-11-24-15-16(27)25-18(23)26-17(15)28(19(29)32-21(3,4)5)20(30)33-22(6,7)8;1-11-8-13(31-12(11)9-28)26-10-23-14-15(26)24-17(22)25-16(14)27(18(29)32-20(2,3)4)19(30)33-21(5,6)7;1-3-26-15(25)12(7(2)23)27-5-9-8(24)4-10(28-9)22-6-19-11-13(18)20-16(17)21-14(11)22;14-13-17-9(15)7-10(18-13)19(3-16-7)6-1-4(20)5(26-6)2-25-8(11(21)22)12(23)24;1-2-6-5(18)3-7(19-6)17-4-14-8-9(13)15-11(12)16-10(8)17;11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6;1-3-11-6(10)5(8-7)4(2)9/h13-14,16-17,19H,10-12H2,1-9H3;11-14H,9-10H2,1-8H3;10-13,28H,8-9H2,1-7H3;6,8-10,12,24H,3-5H2,1-2H3,(H2,18,20,21);3-6,8,20H,1-2H2,(H,21,22)(H,23,24)(H2,15,17,18);4-7,18H,2-3H2,1H3,(H2,13,15,16);3-6,17-18H,1-2H2,(H2,12,14,15);3H2,1-2H3/t14-,16+,17+,19?;12-,13+,14+;11-,12+,13+;8-,9+,10+,12?;4-,5+,6+;5-,6+,7+;4-,5+,6+;/m0000000./s1.
What are the key properties of (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate?
(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate has a molecular weight of 3105.12 g/mol, XLogP of 14.32, 34 rotatable bonds, 12 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate is sourced from PubChem (CID 159748510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).