(6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

C19H33N3O6 — CID 121274318

IUPAC(6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESCC1[C@H](OCC2O[C@@H](C)C(N=[N+]=[N-])[C@@H](C)[C@@H]2C)OC2COC(C)(C)O[C@H]2[C@@H]1O
InChIInChI=1S/C19H33N3O6/c1-9-10(2)15(21-22-20)12(4)26-13(9)7-24-18-11(3)16(23)17-14(27-18)8-25-19(5,6)28-17/h9-18,23H,7-8H2,1-6H3/t9-,10-,11?,12-,13?,14?,15?,16+,17+,18+/m0/s1
InChIKeyFZTIXDHSBJEFSY-DHDPFQQKSA-N
MW399.49 g/mol
LogP2.61
Rot. Bonds4

About (6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

(6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (PubChem CID 121274318) has the molecular formula C19H33N3O6 and a molecular weight of 399.49 g/mol. Its IUPAC name is (6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.

Molecular Properties

Compound Name(6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
PubChem CID121274318
Molecular FormulaC19H33N3O6
Molecular Weight399.49 g/mol
Exact Mass399.24
IUPAC Name(6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESCC1[C@H](OCC2O[C@@H](C)C(N=[N+]=[N-])[C@@H](C)[C@@H]2C)OC2COC(C)(C)O[C@H]2[C@@H]1O
InChIInChI=1S/C19H33N3O6/c1-9-10(2)15(21-22-20)12(4)26-13(9)7-24-18-11(3)16(23)17-14(27-18)8-25-19(5,6)28-17/h9-18,23H,7-8H2,1-6H3/t9-,10-,11?,12-,13?,14?,15?,16+,17+,18+/m0/s1
InChIKeyFZTIXDHSBJEFSY-DHDPFQQKSA-N
XLogP2.61
TPSA115.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The IUPAC name of (6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (CID 121274318) is (6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.
What is the SMILES notation for (6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The canonical SMILES for (6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is CC1[C@H](OCC2O[C@@H](C)C(N=[N+]=[N-])[C@@H](C)[C@@H]2C)OC2COC(C)(C)O[C@H]2[C@@H]1O.
What is the InChIKey of (6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The InChIKey is FZTIXDHSBJEFSY-DHDPFQQKSA-N. The full InChI is InChI=1S/C19H33N3O6/c1-9-10(2)15(21-22-20)12(4)26-13(9)7-24-18-11(3)16(23)17-14(27-18)8-25-19(5,6)28-17/h9-18,23H,7-8H2,1-6H3/t9-,10-,11?,12-,13?,14?,15?,16+,17+,18+/m0/s1.
What are the key properties of (6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
(6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol has a molecular weight of 399.49 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R,8aS)-6-[[(3S,4S,6S)-5-azido-3,4,6-trimethyloxan-2-yl]methoxy]-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is sourced from PubChem (CID 121274318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).