(2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine

C15H28O8 — CID 10544828

IUPAC(2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine
SMILESCOC[C@H]1O[C@H](OC)[C@@H](OC)[C@H]2O[C@](C)(OC)[C@@](C)(OC)O[C@@H]21
InChIInChI=1S/C15H28O8/c1-14(19-6)15(2,20-7)23-11-10(22-14)9(8-16-3)21-13(18-5)12(11)17-4/h9-13H,8H2,1-7H3/t9-,10-,11+,12+,13+,14+,15+/m1/s1
InChIKeyYRZYMIMJBVUPJH-ADEIYEECSA-N
MW336.38 g/mol
LogP0.53
Rot. Bonds6

About (2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine

(2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine (PubChem CID 10544828) has the molecular formula C15H28O8 and a molecular weight of 336.38 g/mol. Its IUPAC name is (2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name(2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine
PubChem CID10544828
Molecular FormulaC15H28O8
Molecular Weight336.38 g/mol
Exact Mass336.18
IUPAC Name(2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine
SMILESCOC[C@H]1O[C@H](OC)[C@@H](OC)[C@H]2O[C@](C)(OC)[C@@](C)(OC)O[C@@H]21
InChIInChI=1S/C15H28O8/c1-14(19-6)15(2,20-7)23-11-10(22-14)9(8-16-3)21-13(18-5)12(11)17-4/h9-13H,8H2,1-7H3/t9-,10-,11+,12+,13+,14+,15+/m1/s1
InChIKeyYRZYMIMJBVUPJH-ADEIYEECSA-N
XLogP0.53
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine with MolForge

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Related Compounds

(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
(2S,3S,4aR,5R,7S,8R,8aR)-5-(hydroxymethyl)-2,3,7-trimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-8-ol
CID 10828595
(2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane
CID 176646378
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798414
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798413
CID 58427780
CID 58427780
2,3-dimethoxy-6-(methoxymethyl)-5-methyloxan-4-ol
CID 76704011
[(2R,3R,4S,5S,6S)-6-[[(4aR,5R,7S,8R,8aS)-2,3,7-trimethoxy-2,3-dimethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate
CID 101374038
sodium [(2S,3S,4aR,5R,7S,8S,8aR)-8-hydroxy-2,3,7-trimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methyl [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 44606977
(3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine
CID 24804009
(3aS,6S)-6,7-dimethoxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 46782216
(1R,3R,6R,8S,11R,13R,16R,18R,21R,23R,26R,28R,31R,33R,36S,38S,40S,42S,44S,46S,48S)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane
CID 133126616

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine?
The IUPAC name of (2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine (CID 10544828) is (2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine.
What is the SMILES notation for (2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine?
The canonical SMILES for (2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine is COC[C@H]1O[C@H](OC)[C@@H](OC)[C@H]2O[C@](C)(OC)[C@@](C)(OC)O[C@@H]21.
What is the InChIKey of (2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine?
The InChIKey is YRZYMIMJBVUPJH-ADEIYEECSA-N. The full InChI is InChI=1S/C15H28O8/c1-14(19-6)15(2,20-7)23-11-10(22-14)9(8-16-3)21-13(18-5)12(11)17-4/h9-13H,8H2,1-7H3/t9-,10-,11+,12+,13+,14+,15+/m1/s1.
What are the key properties of (2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine?
(2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine has a molecular weight of 336.38 g/mol, XLogP of 0.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4aR,5R,7S,8S,8aS)-2,3,7,8-tetramethoxy-5-(methoxymethyl)-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine is sourced from PubChem (CID 10544828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).