(2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol

C15H28O9 — CID 163470872

IUPAC(2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
SMILESCOCC1O[C@@H](O[C@@H]2C(CO)OC[C@@H](O)C2C)C(O)C(OC)[C@H]1O
InChIInChI=1S/C15H28O9/c1-7-8(17)5-22-9(4-16)13(7)24-15-12(19)14(21-3)11(18)10(23-15)6-20-2/h7-19H,4-6H2,1-3H3/t7?,8-,9?,10?,11+,12?,13+,14?,15+/m1/s1
InChIKeyBWLINLQRDPXZOH-XMYZMJMHSA-N
MW352.38 g/mol
LogP-2.13
Rot. Bonds6

About (2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol

(2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol (PubChem CID 163470872) has the molecular formula C15H28O9 and a molecular weight of 352.38 g/mol. Its IUPAC name is (2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol.

Molecular Properties

Compound Name(2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
PubChem CID163470872
Molecular FormulaC15H28O9
Molecular Weight352.38 g/mol
Exact Mass352.17
IUPAC Name(2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
SMILESCOCC1O[C@@H](O[C@@H]2C(CO)OC[C@@H](O)C2C)C(O)C(OC)[C@H]1O
InChIInChI=1S/C15H28O9/c1-7-8(17)5-22-9(4-16)13(7)24-15-12(19)14(21-3)11(18)10(23-15)6-20-2/h7-19H,4-6H2,1-3H3/t7?,8-,9?,10?,11+,12?,13+,14?,15+/m1/s1
InChIKeyBWLINLQRDPXZOH-XMYZMJMHSA-N
XLogP-2.13
TPSA127.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol with MolForge

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Related Compounds

2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 177339487
(4R,5R,6R)-4-[(2R,3S,4R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
CID 174061562
4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
CID 59916946
(2R,3R,4R,5S)-4-methoxy-2-(methoxymethyl)oxane-3,5-diol
CID 54140471
(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 56611045
(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
CID 88937299
(3R,4S,5R)-3-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxyoxane-2,4,5-triol
CID 91850248
(2S,3S,5S)-2-[(3S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 90346392
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218
(2R,5S)-2-[(2R,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70971830
(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxymethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91855989

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol?
The IUPAC name of (2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol (CID 163470872) is (2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol.
What is the SMILES notation for (2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol?
The canonical SMILES for (2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol is COCC1O[C@@H](O[C@@H]2C(CO)OC[C@@H](O)C2C)C(O)C(OC)[C@H]1O.
What is the InChIKey of (2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol?
The InChIKey is BWLINLQRDPXZOH-XMYZMJMHSA-N. The full InChI is InChI=1S/C15H28O9/c1-7-8(17)5-22-9(4-16)13(7)24-15-12(19)14(21-3)11(18)10(23-15)6-20-2/h7-19H,4-6H2,1-3H3/t7?,8-,9?,10?,11+,12?,13+,14?,15+/m1/s1.
What are the key properties of (2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol?
(2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol has a molecular weight of 352.38 g/mol, XLogP of -2.13, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol is sourced from PubChem (CID 163470872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).