(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate

C88H155N13O23 — CID 157367357

About (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate

(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate (PubChem CID 157367357) has the molecular formula C88H155N13O23 and a molecular weight of 1763.28 g/mol. Its IUPAC name is (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate.

Molecular Properties

• Compound Name: (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate
• PubChem CID: 157367357
• Molecular Formula: C88H155N13O23
• Molecular Weight: 1763.28 g/mol
• Exact Mass: 1762.14
• IUPAC Name: (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate
• SMILES: C.C=CCOC(=O)NC[C@@H]1CC(N(C)C)[C@@H](C)[C@H](O[C@H]([C@@H](C)C2=C(C)C(=O)OC(C)(C)O2)[C@@](C)(C[C@@H](C)C=O)OC)O1.C=CCOC(=O)NC[C@@H]1CC(N(C)C)[C@@H](C)[C@H](O[C@H]([C@@H](C)C2=C(C)C(=O)OC(C)(C)O2)[C@@](C)(C[C@@H](C)CC[C@H](C)[C@H]2N(CCCCN=[N+]=[N-])C(=O)O[C@]2(C)[C@H](O)CC)OC)O1.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)N
• InChI: InChI=1S/C44H76N6O11.C30H50N2O9.C13H25N5O3.CH4/c1-15-23-56-40(53)46-26-32-24-33(49(12)13)29(5)39(57-32)58-37(30(6)35-31(7)38(52)60-42(8,9)59-35)43(10,55-14)25-27(3)19-20-28(4)36-44(11,34(51)16-2)61-41(54)50(36)22-18-17-21-47-48-45;1-12-13-37-28(35)31-16-22-14-23(32(9)10)19(3)27(38-22)39-25(30(8,36-11)15-18(2)17-33)20(4)24-21(5)26(34)41-29(6,7)40-24;1-4-10(19)13(3)11(9(2)14)18(12(20)21-13)8-6-5-7-16-17-15;/h15,27-30,32-34,36-37,39,51H,1,16-26H2,2-14H3,(H,46,53);12,17-20,22-23,25,27H,1,13-16H2,2-11H3,(H,31,35);9-11,19H,4-8,14H2,1-3H3;1H4/t27-,28-,29+,30-,32-,33?,34+,36+,37+,39-,43+,44+;18-,19-,20+,22+,23?,25-,27+,30-;9-,10-,11-,13-;/m011./s1
• InChIKey: BJIOJAMDPZHENY-OJMNCQKHSA-N
• XLogP: 13.70
• TPSA: 449.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 46
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1763.28
LogP ≤ 5	13.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate?

The IUPAC name of (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate (CID 157367357) is (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate.

What is the SMILES notation for (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate?

The canonical SMILES for (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate is C.C=CCOC(=O)NC[C@@H]1CC(N(C)C)[C@@H](C)[C@H](O[C@H]([C@@H](C)C2=C(C)C(=O)OC(C)(C)O2)[C@@](C)(C[C@@H](C)C=O)OC)O1.C=CCOC(=O)NC[C@@H]1CC(N(C)C)[C@@H](C)[C@H](O[C@H]([C@@H](C)C2=C(C)C(=O)OC(C)(C)O2)[C@@](C)(C[C@@H](C)CC[C@H](C)[C@H]2N(CCCCN=[N+]=[N-])C(=O)O[C@]2(C)[C@H](O)CC)OC)O1.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)N.

What is the InChIKey of (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate?

The InChIKey is BJIOJAMDPZHENY-OJMNCQKHSA-N. The full InChI is InChI=1S/C44H76N6O11.C30H50N2O9.C13H25N5O3.CH4/c1-15-23-56-40(53)46-26-32-24-33(49(12)13)29(5)39(57-32)58-37(30(6)35-31(7)38(52)60-42(8,9)59-35)43(10,55-14)25-27(3)19-20-28(4)36-44(11,34(51)16-2)61-41(54)50(36)22-18-17-21-47-48-45;1-12-13-37-28(35)31-16-22-14-23(32(9)10)19(3)27(38-22)39-25(30(8,36-11)15-18(2)17-33)20(4)24-21(5)26(34)41-29(6,7)40-24;1-4-10(19)13(3)11(9(2)14)18(12(20)21-13)8-6-5-7-16-17-15;/h15,27-30,32-34,36-37,39,51H,1,16-26H2,2-14H3,(H,46,53);12,17-20,22-23,25,27H,1,13-16H2,2-11H3,(H,31,35);9-11,19H,4-8,14H2,1-3H3;1H4/t27-,28-,29+,30-,32-,33?,34+,36+,37+,39-,43+,44+;18-,19-,20+,22+,23?,25-,27+,30-;9-,10-,11-,13-;/m011./s1.

What are the key properties of (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate?

(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate has a molecular weight of 1763.28 g/mol, XLogP of 13.70, 46 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;methane;prop-2-enyl N-[[(2S,5R,6S)-6-[(2R,3R,4R,6S,9S)-9-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-4-methoxy-4,6-dimethyl-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-3-yl]oxy-4-(dimethylamino)-5-methyloxan-2-yl]methyl]carbamate;prop-2-enyl N-[[(2S,5R,6S)-4-(dimethylamino)-6-[(2R,3R,4R,6R)-4-methoxy-4,6-dimethyl-7-oxo-2-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptan-3-yl]oxy-5-methyloxan-2-yl]methyl]carbamate is sourced from PubChem (CID 157367357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).