(6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

C19H35NO9 — CID 159990376

IUPAC(6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
SMILESCNC1[C@@H](OC)OC(CO)[C@@H](O[C@@H]2OC3COC(C)(C)O[C@H]3[C@@H](OC)C2O)[C@@H]1C
InChIInChI=1S/C19H35NO9/c1-9-12(20-4)17(24-6)26-10(7-21)14(9)28-18-13(22)16(23-5)15-11(27-18)8-25-19(2,3)29-15/h9-18,20-22H,7-8H2,1-6H3/t9-,10?,11?,12?,13?,14+,15-,16+,17+,18+/m1/s1
InChIKeyYXXJAZPRVAZXNA-YKFNKUHQSA-N
MW421.49 g/mol
LogP-0.79
Rot. Bonds6

About (6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

(6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol (PubChem CID 159990376) has the molecular formula C19H35NO9 and a molecular weight of 421.49 g/mol. Its IUPAC name is (6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol.

Molecular Properties

Compound Name(6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
PubChem CID159990376
Molecular FormulaC19H35NO9
Molecular Weight421.49 g/mol
Exact Mass421.23
IUPAC Name(6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
SMILESCNC1[C@@H](OC)OC(CO)[C@@H](O[C@@H]2OC3COC(C)(C)O[C@H]3[C@@H](OC)C2O)[C@@H]1C
InChIInChI=1S/C19H35NO9/c1-9-12(20-4)17(24-6)26-10(7-21)14(9)28-18-13(22)16(23-5)15-11(27-18)8-25-19(2,3)29-15/h9-18,20-22H,7-8H2,1-6H3/t9-,10?,11?,12?,13?,14+,15-,16+,17+,18+/m1/s1
InChIKeyYXXJAZPRVAZXNA-YKFNKUHQSA-N
XLogP-0.79
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S,4aR,6S,7R,8R,8aR)-6-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-7-hydroxy-8-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylate
CID 10026971
(6S,8S,8aS)-6-[(3R,4S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 70960078
(4aR,6S,7R,8S,8aS)-6-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 12897372
(4aR,6S,7S,8R,8aS)-6-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 71750396
N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-6-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7336741
(2S,4aR,6S,7R,8R,8aR)-6-[[(2S,4aR,6S,7R,8R,8aR)-2-carboxy-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-7-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-hydroxy-8-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
CID 10011189
(1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol
CID 71171615
(6S,8S,8aR)-6-ethylsulfanyl-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 71158680
CID 140651052
CID 140651052
N-[(2R,4R,5S)-5-[(2S,4S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70842014
(1R,2S,6R,7R,9R)-7-methoxy-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 14077905
[(3S,4R,6R)-3-[(2S,3S,5R)-5-hydroxy-4-methoxy-3,6-dimethyloxan-2-yl]oxy-6-methoxy-4-methyl-5-(methylamino)oxan-2-yl]methyl acetate
CID 158861926

Frequently Asked Questions

What is the IUPAC name of (6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?
The IUPAC name of (6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol (CID 159990376) is (6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol.
What is the SMILES notation for (6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?
The canonical SMILES for (6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol is CNC1[C@@H](OC)OC(CO)[C@@H](O[C@@H]2OC3COC(C)(C)O[C@H]3[C@@H](OC)C2O)[C@@H]1C.
What is the InChIKey of (6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?
The InChIKey is YXXJAZPRVAZXNA-YKFNKUHQSA-N. The full InChI is InChI=1S/C19H35NO9/c1-9-12(20-4)17(24-6)26-10(7-21)14(9)28-18-13(22)16(23-5)15-11(27-18)8-25-19(2,3)29-15/h9-18,20-22H,7-8H2,1-6H3/t9-,10?,11?,12?,13?,14+,15-,16+,17+,18+/m1/s1.
What are the key properties of (6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?
(6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol has a molecular weight of 421.49 g/mol, XLogP of -0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S,8aR)-6-[(3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-8-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol is sourced from PubChem (CID 159990376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).