(2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide

C33H65NO10Si3 — CID 177466535

About (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide

(2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide (PubChem CID 177466535) has the molecular formula C33H65NO10Si3 and a molecular weight of 720.14 g/mol. Its IUPAC name is (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide.

Molecular Properties

• Compound Name: (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide
• PubChem CID: 177466535
• Molecular Formula: C33H65NO10Si3
• Molecular Weight: 720.14 g/mol
• Exact Mass: 719.39
• IUPAC Name: (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide
• SMILES: C=C1C[C@](OC)([C@H](O[Si](C)(C)C)C(=O)N[C@H]2OCO[C@H]3[C@@H]2O[C@H](C[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)C(C)(C)[C@@H]3OC)O[C@H](C)[C@@H]1C
• InChI: InChI=1S/C33H65NO10Si3/c1-21-18-33(37-7,42-23(3)22(21)2)29(44-47(14,15)16)30(35)34-31-27-26(38-20-39-31)28(36-6)32(4,5)25(41-27)17-24(43-46(11,12)13)19-40-45(8,9)10/h22-29,31H,1,17-20H2,2-16H3,(H,34,35)/t22-,23-,24-,25-,26+,27+,28-,29-,31+,33-/m1/s1
• InChIKey: BTROTRVARQQSCG-SFJHOZSMSA-N
• XLogP: 5.64
• TPSA: 112.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.14
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide?

The IUPAC name of (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide (CID 177466535) is (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide.

What is the SMILES notation for (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide?

The canonical SMILES for (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide is C=C1C[C@](OC)([C@H](O[Si](C)(C)C)C(=O)N[C@H]2OCO[C@H]3[C@@H]2O[C@H](C[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)C(C)(C)[C@@H]3OC)O[C@H](C)[C@@H]1C.

What is the InChIKey of (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide?

The InChIKey is BTROTRVARQQSCG-SFJHOZSMSA-N. The full InChI is InChI=1S/C33H65NO10Si3/c1-21-18-33(37-7,42-23(3)22(21)2)29(44-47(14,15)16)30(35)34-31-27-26(38-20-39-31)28(36-6)32(4,5)25(41-27)17-24(43-46(11,12)13)19-40-45(8,9)10/h22-29,31H,1,17-20H2,2-16H3,(H,34,35)/t22-,23-,24-,25-,26+,27+,28-,29-,31+,33-/m1/s1.

What are the key properties of (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide?

(2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide has a molecular weight of 720.14 g/mol, XLogP of 5.64, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-trimethylsilyloxyacetamide is sourced from PubChem (CID 177466535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).