(2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol

C12H22O9 — CID 163627275

IUPAC(2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol
SMILESCO[C@@H]1C(O)[C@H](O[C@@H]2CO[C@](C)(O)C(O)[C@H]2O)OC[C@H]1O
InChIInChI=1S/C12H22O9/c1-12(17)10(16)7(14)6(4-20-12)21-11-8(15)9(18-2)5(13)3-19-11/h5-11,13-17H,3-4H2,1-2H3/t5-,6-,7+,8?,9+,10?,11+,12+/m1/s1
InChIKeyJKXHAVVDDNMAQO-RNNZEQJKSA-N
MW310.30 g/mol
LogP-3.07
Rot. Bonds3

About (2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol

(2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol (PubChem CID 163627275) has the molecular formula C12H22O9 and a molecular weight of 310.30 g/mol. Its IUPAC name is (2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol.

Molecular Properties

Compound Name(2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol
PubChem CID163627275
Molecular FormulaC12H22O9
Molecular Weight310.30 g/mol
Exact Mass310.13
IUPAC Name(2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol
SMILESCO[C@@H]1C(O)[C@H](O[C@@H]2CO[C@](C)(O)C(O)[C@H]2O)OC[C@H]1O
InChIInChI=1S/C12H22O9/c1-12(17)10(16)7(14)6(4-20-12)21-11-8(15)9(18-2)5(13)3-19-11/h5-11,13-17H,3-4H2,1-2H3/t5-,6-,7+,8?,9+,10?,11+,12+/m1/s1
InChIKeyJKXHAVVDDNMAQO-RNNZEQJKSA-N
XLogP-3.07
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 5-3.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol with MolForge

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Launch Full Analysis

Related Compounds

(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386
(3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol
CID 102453556
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 156619104
(2R,3R,4S,5R)-2-[(2S,3R,4S,5R)-3,5-dihydroxy-2-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 91859051
(2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol
CID 130831748
[(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate
CID 102251070
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-sulfanyloxan-3-yl]oxyoxane-3,4,5-triol
CID 10929340
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 156619040
(2S,4S,5R)-2-[(3R,4R,6S)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-4,5-dihydroxy-6-[(3R,4R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 177095235

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol?
The IUPAC name of (2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol (CID 163627275) is (2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol.
What is the SMILES notation for (2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol?
The canonical SMILES for (2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol is CO[C@@H]1C(O)[C@H](O[C@@H]2CO[C@](C)(O)C(O)[C@H]2O)OC[C@H]1O.
What is the InChIKey of (2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol?
The InChIKey is JKXHAVVDDNMAQO-RNNZEQJKSA-N. The full InChI is InChI=1S/C12H22O9/c1-12(17)10(16)7(14)6(4-20-12)21-11-8(15)9(18-2)5(13)3-19-11/h5-11,13-17H,3-4H2,1-2H3/t5-,6-,7+,8?,9+,10?,11+,12+/m1/s1.
What are the key properties of (2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol?
(2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol has a molecular weight of 310.30 g/mol, XLogP of -3.07, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol is sourced from PubChem (CID 163627275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).