(2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol

C13H24O9 — CID 167060038

IUPAC(2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol
SMILESCO[C@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](C)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H24O9/c1-5-7(22-12(19-2)10(17)8(5)15)4-21-13-11(18)9(16)6(14)3-20-13/h5-18H,3-4H2,1-2H3/t5-,6+,7-,8+,9+,10+,11-,12-,13-/m0/s1
InChIKeyFRVZBNVCFDDGPM-NWFSRDJTSA-N
MW324.33 g/mol
LogP-2.83
Rot. Bonds4

About (2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol

(2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol (PubChem CID 167060038) has the molecular formula C13H24O9 and a molecular weight of 324.33 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol
PubChem CID167060038
Molecular FormulaC13H24O9
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name(2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol
SMILESCO[C@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](C)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H24O9/c1-5-7(22-12(19-2)10(17)8(5)15)4-21-13-11(18)9(16)6(14)3-20-13/h5-18H,3-4H2,1-2H3/t5-,6+,7-,8+,9+,10+,11-,12-,13-/m0/s1
InChIKeyFRVZBNVCFDDGPM-NWFSRDJTSA-N
XLogP-2.83
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 5-2.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,4S,5R)-2-[[(3S,4R,6R)-3-[(2S,5S,6S)-5-[(2S,4R,5S)-5-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 140919641
(2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 91847163
(2R,3R,4S,5S,6R)-2-ethoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 90479210
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91847673
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
(2R,3R,4S,5S,6R)-6-[[(4S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 52940241
2,3-dimethoxy-6-(methoxymethyl)-5-methyloxan-4-ol
CID 76704011
5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol
CID 130303988
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2R,3R,4S,5S,6R)-2-pent-2-enoxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 162859117

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol?
The IUPAC name of (2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol (CID 167060038) is (2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol is CO[C@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](C)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol?
The InChIKey is FRVZBNVCFDDGPM-NWFSRDJTSA-N. The full InChI is InChI=1S/C13H24O9/c1-5-7(22-12(19-2)10(17)8(5)15)4-21-13-11(18)9(16)6(14)3-20-13/h5-18H,3-4H2,1-2H3/t5-,6+,7-,8+,9+,10+,11-,12-,13-/m0/s1.
What are the key properties of (2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol?
(2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 324.33 g/mol, XLogP of -2.83, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 167060038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).