(2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal

C98H164N4O32P4 — CID 167578862

About (2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal

(2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal (PubChem CID 167578862) has the molecular formula C98H164N4O32P4 and a molecular weight of 2034.28 g/mol. Its IUPAC name is (2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal.

Molecular Properties

• Compound Name: (2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal
• PubChem CID: 167578862
• Molecular Formula: C98H164N4O32P4
• Molecular Weight: 2034.28 g/mol
• Exact Mass: 2033.03
• IUPAC Name: (2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal
• SMILES: CO[C@@](C)(C[C@@H](C)C=O)[C@@H](CC1=C(C)C(=O)OC(C)(C)O1)O[C@@H]1O[C@H](C)CC(N(C)C)[C@H]1P=O.CO[C@](C)(C[C@@H](C)C=O)[C@@H](CC1=C(C)C(=O)OC(C)(C)O1)O[C@@H]1OC(C)CC(N(C)C)C1P=O.CO[C@](C)(C[C@@H](C)C=O)[C@H](O[C@@H]1O[C@H](C)CC(N(C)C)[C@H]1P=O)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1.CO[C@](C)(C[C@@H](C)C=O)[C@H](O[C@@H]1O[C@H](C)CC(N(C)C)[C@H]1P=O)[C@H](C)C1=C(C)C(=O)OC(C)(C)O1
• InChI: InChI=1S/2C25H42NO8P.2C24H40NO8P/c2*1-14(13-27)12-25(7,30-10)21(16(3)19-17(4)22(28)34-24(5,6)33-19)32-23-20(35-29)18(26(8)9)11-15(2)31-23;2*1-14(13-26)12-24(6,29-9)19(11-18-16(3)21(27)33-23(4,5)32-18)31-22-20(34-28)17(25(7)8)10-15(2)30-22/h2*13-16,18,20-21,23H,11-12H2,1-10H3;2*13-15,17,19-20,22H,10-12H2,1-9H3/t14-,15-,16+,18?,20-,21-,23+,25-;14-,15-,16-,18?,20-,21-,23+,25-;14-,15?,17?,19-,20?,22+,24-;14-,15-,17?,19-,20-,22+,24+/m1111/s1
• InChIKey: GXBICKJHOLODGJ-MVCORJFBSA-N
• XLogP: 15.30
• TPSA: 402.40 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 44
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2034.28
LogP ≤ 5	15.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal?

The IUPAC name of (2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal (CID 167578862) is (2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal.

What is the SMILES notation for (2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal?

The canonical SMILES for (2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal is CO[C@@](C)(C[C@@H](C)C=O)[C@@H](CC1=C(C)C(=O)OC(C)(C)O1)O[C@@H]1O[C@H](C)CC(N(C)C)[C@H]1P=O.CO[C@](C)(C[C@@H](C)C=O)[C@@H](CC1=C(C)C(=O)OC(C)(C)O1)O[C@@H]1OC(C)CC(N(C)C)C1P=O.CO[C@](C)(C[C@@H](C)C=O)[C@H](O[C@@H]1O[C@H](C)CC(N(C)C)[C@H]1P=O)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1.CO[C@](C)(C[C@@H](C)C=O)[C@H](O[C@@H]1O[C@H](C)CC(N(C)C)[C@H]1P=O)[C@H](C)C1=C(C)C(=O)OC(C)(C)O1.

What is the InChIKey of (2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal?

The InChIKey is GXBICKJHOLODGJ-MVCORJFBSA-N. The full InChI is InChI=1S/2C25H42NO8P.2C24H40NO8P/c2*1-14(13-27)12-25(7,30-10)21(16(3)19-17(4)22(28)34-24(5,6)33-19)32-23-20(35-29)18(26(8)9)11-15(2)31-23;2*1-14(13-26)12-24(6,29-9)19(11-18-16(3)21(27)33-23(4,5)32-18)31-22-20(34-28)17(25(7)8)10-15(2)30-22/h2*13-16,18,20-21,23H,11-12H2,1-10H3;2*13-15,17,19-20,22H,10-12H2,1-9H3/t14-,15-,16+,18?,20-,21-,23+,25-;14-,15-,16-,18?,20-,21-,23+,25-;14-,15?,17?,19-,20?,22+,24-;14-,15-,17?,19-,20-,22+,24+/m1111/s1.

What are the key properties of (2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal?

(2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal has a molecular weight of 2034.28 g/mol, XLogP of 15.30, 44 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,5R,6R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4R,5R,6S)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanal;(2R,4S,5R)-5-[(2S,3R,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal;(2R,4R,5R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)hexanal is sourced from PubChem (CID 167578862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).