methyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate

C128H260N20O48 — CID 159727702

IUPACmethyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate
SMILESCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)OC.CCCCNCCCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)OC.CCCCNCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)OC.CCCCNCCNCCCC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)OC.CCCCNCCNCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)OC.CCCCNCCNCCNCCCC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)OC.CCCCNCCNCCNCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)OC.CCCCNCCNCCNCCNCCCC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)OC
InChIInChI=1S/C20H42N4O7.C18H38N4O5.C18H37N3O7.C16H33N3O5.C16H32N2O7.C14H28N2O5.C14H27NO7.C12H23NO5/c1-3-4-7-21-9-11-23-13-14-24-12-10-22-8-5-6-15(25)16(26)17(27)18(28)19(29)20(30)31-2;1-3-4-7-19-9-11-21-13-14-22-12-10-20-8-5-6-15(23)16(24)17(25)18(26)27-2;1-3-4-7-19-9-11-21-12-10-20-8-5-6-13(22)14(23)15(24)16(25)17(26)18(27)28-2;1-3-4-7-17-9-11-19-12-10-18-8-5-6-13(20)14(21)15(22)16(23)24-2;1-3-4-7-17-9-10-18-8-5-6-11(19)12(20)13(21)14(22)15(23)16(24)25-2;1-3-4-7-15-9-10-16-8-5-6-11(17)12(18)13(19)14(20)21-2;1-3-4-7-15-8-5-6-9(16)10(17)11(18)12(19)13(20)14(21)22-2;1-3-4-7-13-8-5-6-9(14)10(15)11(16)12(17)18-2/h16-19,21-24,26-29H,3-14H2,1-2H3;16-17,19-22,24-25H,3-14H2,1-2H3;14-17,19-21,23-26H,3-12H2,1-2H3;14-15,17-19,21-22H,3-12H2,1-2H3;12-15,17-18,20-23H,3-10H2,1-2H3;12-13,15-16,18-19H,3-10H2,1-2H3;10-13,15,17-20H,3-8H2,1-2H3;10-11,13,15-16H,3-8H2,1-2H3/t16-,17+,18+,19-;16-,17+;14-,15+,16+,17-;14-,15+;12-,13+,14+,15-;12-,13+;10-,11+,12-,13-;10-,11+/m00000000/s1
InChIKeyNAVNTVKGYDFNDB-JPKKLZFYSA-N
MW2847.58 g/mol
LogP-13.08
Rot. Bonds124

About methyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate

methyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate (PubChem CID 159727702) has the molecular formula C128H260N20O48 and a molecular weight of 2847.58 g/mol. Its IUPAC name is methyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate
PubChem CID159727702
Molecular FormulaC128H260N20O48
Molecular Weight2847.58 g/mol
Exact Mass2845.85
IUPAC Namemethyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate
SMILESCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)OC.CCCCNCCCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)OC.CCCCNCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)OC.CCCCNCCNCCCC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)OC.CCCCNCCNCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)OC.CCCCNCCNCCNCCCC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)OC.CCCCNCCNCCNCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)OC.CCCCNCCNCCNCCNCCCC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)OC
InChIInChI=1S/C20H42N4O7.C18H38N4O5.C18H37N3O7.C16H33N3O5.C16H32N2O7.C14H28N2O5.C14H27NO7.C12H23NO5/c1-3-4-7-21-9-11-23-13-14-24-12-10-22-8-5-6-15(25)16(26)17(27)18(28)19(29)20(30)31-2;1-3-4-7-19-9-11-21-13-14-22-12-10-20-8-5-6-15(23)16(24)17(25)18(26)27-2;1-3-4-7-19-9-11-21-12-10-20-8-5-6-13(22)14(23)15(24)16(25)17(26)18(27)28-2;1-3-4-7-17-9-11-19-12-10-18-8-5-6-13(20)14(21)15(22)16(23)24-2;1-3-4-7-17-9-10-18-8-5-6-11(19)12(20)13(21)14(22)15(23)16(24)25-2;1-3-4-7-15-9-10-16-8-5-6-11(17)12(18)13(19)14(20)21-2;1-3-4-7-15-8-5-6-9(16)10(17)11(18)12(19)13(20)14(21)22-2;1-3-4-7-13-8-5-6-9(14)10(15)11(16)12(17)18-2/h16-19,21-24,26-29H,3-14H2,1-2H3;16-17,19-22,24-25H,3-14H2,1-2H3;14-17,19-21,23-26H,3-12H2,1-2H3;14-15,17-19,21-22H,3-12H2,1-2H3;12-15,17-18,20-23H,3-10H2,1-2H3;12-13,15-16,18-19H,3-10H2,1-2H3;10-13,15,17-20H,3-8H2,1-2H3;10-11,13,15-16H,3-8H2,1-2H3/t16-,17+,18+,19-;16-,17+;14-,15+,16+,17-;14-,15+;12-,13+,14+,15-;12-,13+;10-,11+,12-,13-;10-,11+/m00000000/s1
InChIKeyNAVNTVKGYDFNDB-JPKKLZFYSA-N
XLogP-13.08
TPSA1073.08 Ų
H-Bond Donors44
H-Bond Acceptors68
Rotatable Bonds124
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002847.58
LogP ≤ 5-13.08
H-Bond Donors ≤ 544
H-Bond Acceptors ≤ 1068

Computed Properties (RDKit)

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

Analyze methyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate?
The IUPAC name of methyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate (CID 159727702) is methyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate.
What is the SMILES notation for methyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate?
The canonical SMILES for methyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate is CCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)OC.CCCCNCCCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)OC.CCCCNCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)OC.CCCCNCCNCCCC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)OC.CCCCNCCNCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)OC.CCCCNCCNCCNCCCC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)OC.CCCCNCCNCCNCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)OC.CCCCNCCNCCNCCNCCCC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)OC.
What is the InChIKey of methyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate?
The InChIKey is NAVNTVKGYDFNDB-JPKKLZFYSA-N. The full InChI is InChI=1S/C20H42N4O7.C18H38N4O5.C18H37N3O7.C16H33N3O5.C16H32N2O7.C14H28N2O5.C14H27NO7.C12H23NO5/c1-3-4-7-21-9-11-23-13-14-24-12-10-22-8-5-6-15(25)16(26)17(27)18(28)19(29)20(30)31-2;1-3-4-7-19-9-11-21-13-14-22-12-10-20-8-5-6-15(23)16(24)17(25)18(26)27-2;1-3-4-7-19-9-11-21-12-10-20-8-5-6-13(22)14(23)15(24)16(25)17(26)18(27)28-2;1-3-4-7-17-9-11-19-12-10-18-8-5-6-13(20)14(21)15(22)16(23)24-2;1-3-4-7-17-9-10-18-8-5-6-11(19)12(20)13(21)14(22)15(23)16(24)25-2;1-3-4-7-15-9-10-16-8-5-6-11(17)12(18)13(19)14(20)21-2;1-3-4-7-15-8-5-6-9(16)10(17)11(18)12(19)13(20)14(21)22-2;1-3-4-7-13-8-5-6-9(14)10(15)11(16)12(17)18-2/h16-19,21-24,26-29H,3-14H2,1-2H3;16-17,19-22,24-25H,3-14H2,1-2H3;14-17,19-21,23-26H,3-12H2,1-2H3;14-15,17-19,21-22H,3-12H2,1-2H3;12-15,17-18,20-23H,3-10H2,1-2H3;12-13,15-16,18-19H,3-10H2,1-2H3;10-13,15,17-20H,3-8H2,1-2H3;10-11,13,15-16H,3-8H2,1-2H3/t16-,17+,18+,19-;16-,17+;14-,15+,16+,17-;14-,15+;12-,13+,14+,15-;12-,13+;10-,11+,12-,13-;10-,11+/m00000000/s1.
What are the key properties of methyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate?
methyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate has a molecular weight of 2847.58 g/mol, XLogP of -13.08, 124 rotatable bonds, 44 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-7-(butylamino)-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-(butylamino)ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-(butylamino)ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2R,3R)-7-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3-dihydroxy-4-oxoheptanoate;methyl (2S,3R,4S,5R)-9-[2-[2-[2-(butylamino)ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-[2-(butylamino)ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3R,4S,5R)-9-[2-(butylamino)ethylamino]-2,3,4,5-tetrahydroxy-6-oxononanoate;methyl (2S,3S,4S,5R)-9-(butylamino)-2,3,4,5-tetrahydroxy-6-oxononanoate is sourced from PubChem (CID 159727702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).