(2S)-N-[(4S,4aS,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[[(2S)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

C26H41NO10 — CID 23243255

About (2S)-N-[(4S,4aS,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[[(2S)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

(2S)-N-[(4S,4aS,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[[(2S)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide (PubChem CID 23243255) has the molecular formula C26H41NO10 and a molecular weight of 527.61 g/mol. Its IUPAC name is (2S)-N-[(4S,4aS,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[[(2S)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide.

Molecular Properties

• Compound Name: (2S)-N-[(4S,4aS,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[[(2S)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
• PubChem CID: 23243255
• Molecular Formula: C26H41NO10
• Molecular Weight: 527.61 g/mol
• Exact Mass: 527.27
• IUPAC Name: (2S)-N-[(4S,4aS,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[[(2S)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
• SMILES: C=C1C[C@](OC)([C@H](O)C(=O)N[C@H]2OCO[C@H]3[C@@H]2O[C@H](C[C@@H]2CCC(=O)O2)C(C)(C)[C@@H]3OC)O[C@H](C)[C@@H]1C
• InChI: InChI=1S/C26H41NO10/c1-13-11-26(32-7,37-15(3)14(13)2)21(29)23(30)27-24-20-19(33-12-34-24)22(31-6)25(4,5)17(36-20)10-16-8-9-18(28)35-16/h14-17,19-22,24,29H,1,8-12H2,2-7H3,(H,27,30)/t14-,15-,16+,17-,19+,20+,21-,22-,24+,26-/m1/s1
• InChIKey: QLDOXRUFJHMOHG-FICOUIPYSA-N
• XLogP: 1.41
• TPSA: 131.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.61
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S)-N-[(4S,4aS,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[[(2S)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide (CID 23243255) is (2S)-N-[(4S,4aS,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[[(2S)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide.

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

The canonical SMILES for (2S)-N-[(4S,4aS,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[[(2S)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide is C=C1C[C@](OC)([C@H](O)C(=O)N[C@H]2OCO[C@H]3[C@@H]2O[C@H](C[C@@H]2CCC(=O)O2)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)-8-methoxy-7,7-dimethyl-6-[[(2S)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?

The InChIKey is QLDOXRUFJHMOHG-FICOUIPYSA-N. The full InChI is InChI=1S/C26H41NO10/c1-13-11-26(32-7,37-15(3)14(13)2)21(29)23(30)27-24-20-19(33-12-34-24)22(31-6)25(4,5)17(36-20)10-16-8-9-18(28)35-16/h14-17,19-22,24,29H,1,8-12H2,2-7H3,(H,27,30)/t14-,15-,16+,17-,19+,20+,21-,22-,24+,26-/m1/s1.

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

(2S)-N-[(4S,4aS,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[[(2S)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide has a molecular weight of 527.61 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(4S,4aS,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[[(2S)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide is sourced from PubChem (CID 23243255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).