6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane

C113H184N12O21Si2 — CID 167653889

About 6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane

6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane (PubChem CID 167653889) has the molecular formula C113H184N12O21Si2 and a molecular weight of 2102.95 g/mol. Its IUPAC name is 6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane.

Molecular Properties

• Compound Name: 6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane
• PubChem CID: 167653889
• Molecular Formula: C113H184N12O21Si2
• Molecular Weight: 2102.95 g/mol
• Exact Mass: 2101.32
• IUPAC Name: 6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane
• SMILES: C.C.CC1O[C@H](CN=[N+]=[N-])CC(N(C)C)[C@H]1C.CO[C@](C)(C[C@@H](C)C=O)[C@H](O[C@@H]1O[C@H](CN=[N+]=[N-])CC(N(C)C)[C@H]1C)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1.CO[C@](C)(C[C@@H](C)CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)[C@H](O)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1.CO[C@](C)(C[C@@H](C)CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)[C@H](O[C@@H]1O[C@H](CN=[N+]=[N-])CC(N(C)C)[C@H]1C)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1
• InChI: InChI=1S/C42H64N4O7Si.C33H48O6Si.C26H44N4O7.C10H20N4O.2CH4/c1-28(23-24-40(5,6)54(48,33-19-15-13-16-20-33)34-21-17-14-18-22-34)26-42(9,49-12)37(30(3)36-31(4)38(47)53-41(7,8)52-36)51-39-29(2)35(46(10)11)25-32(50-39)27-44-45-43;1-23(22-33(8,37-9)29(34)24(2)28-25(3)30(35)39-32(6,7)38-28)20-21-31(4,5)40(36,26-16-12-10-13-17-26)27-18-14-11-15-19-27;1-15(14-31)12-26(7,33-10)22(17(3)21-18(4)23(32)37-25(5,6)36-21)35-24-16(2)20(30(8)9)11-19(34-24)13-28-29-27;1-7-8(2)15-9(6-12-13-11)5-10(7)14(3)4;;/h13-22,28-30,32,35,37,39,48H,23-27H2,1-12H3;10-19,23-24,29,34,36H,20-22H2,1-9H3;14-17,19-20,22,24H,11-13H2,1-10H3;7-10H,5-6H2,1-4H3;2*1H4/t28-,29+,30-,32-,35?,37+,39-,42+;23-,24-,29+,33+;15-,16-,17+,19+,20?,22-,24+,26-;7-,8?,9-,10?;;/m0010../s1
• InChIKey: QYUXJMDJDCTCLM-ZQVCUQATSA-N
• XLogP: 20.16
• TPSA: 414.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 44
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2102.95
LogP ≤ 5	20.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

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': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane?

The IUPAC name of 6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane (CID 167653889) is 6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane.

What is the SMILES notation for 6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane?

The canonical SMILES for 6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane is C.C.CC1O[C@H](CN=[N+]=[N-])CC(N(C)C)[C@H]1C.CO[C@](C)(C[C@@H](C)C=O)[C@H](O[C@@H]1O[C@H](CN=[N+]=[N-])CC(N(C)C)[C@H]1C)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1.CO[C@](C)(C[C@@H](C)CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)[C@H](O)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1.CO[C@](C)(C[C@@H](C)CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)[C@H](O[C@@H]1O[C@H](CN=[N+]=[N-])CC(N(C)C)[C@H]1C)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1.

What is the InChIKey of 6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane?

The InChIKey is QYUXJMDJDCTCLM-ZQVCUQATSA-N. The full InChI is InChI=1S/C42H64N4O7Si.C33H48O6Si.C26H44N4O7.C10H20N4O.2CH4/c1-28(23-24-40(5,6)54(48,33-19-15-13-16-20-33)34-21-17-14-18-22-34)26-42(9,49-12)37(30(3)36-31(4)38(47)53-41(7,8)52-36)51-39-29(2)35(46(10)11)25-32(50-39)27-44-45-43;1-23(22-33(8,37-9)29(34)24(2)28-25(3)30(35)39-32(6,7)38-28)20-21-31(4,5)40(36,26-16-12-10-13-17-26)27-18-14-11-15-19-27;1-15(14-31)12-26(7,33-10)22(17(3)21-18(4)23(32)37-25(5,6)36-21)35-24-16(2)20(30(8)9)11-19(34-24)13-28-29-27;1-7-8(2)15-9(6-12-13-11)5-10(7)14(3)4;;/h13-22,28-30,32,35,37,39,48H,23-27H2,1-12H3;10-19,23-24,29,34,36H,20-22H2,1-9H3;14-17,19-20,22,24H,11-13H2,1-10H3;7-10H,5-6H2,1-4H3;2*1H4/t28-,29+,30-,32-,35?,37+,39-,42+;23-,24-,29+,33+;15-,16-,17+,19+,20?,22-,24+,26-;7-,8?,9-,10?;;/m0010../s1.

What are the key properties of 6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane?

6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane has a molecular weight of 2102.95 g/mol, XLogP of 20.16, 44 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R,3R,4R,6S)-3-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;(2R,4R,5R,6R)-5-[(2S,3R,6S)-6-(azidomethyl)-4-(dimethylamino)-3-methyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(3R,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine;6-[(2R,3R,4R,6S)-3-hydroxy-9-[hydroxy(diphenyl)silyl]-4-methoxy-4,6,9-trimethyldecan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one;methane is sourced from PubChem (CID 167653889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).