(2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol

C12H22O7 — CID 91848517

IUPAC(2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol
SMILESC[C@H]1O[C@H](O)C[C@@H](O[C@@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H]1O
InChIInChI=1S/C12H22O7/c1-5-11(15)7(13)3-10(18-5)19-8-4-9(14)17-6(2)12(8)16/h5-16H,3-4H2,1-2H3/t5-,6-,7-,8-,9+,10-,11-,12-/m1/s1
InChIKeyUYPSAXYOZNLOAC-RGXJTGTOSA-N
MW278.30 g/mol
LogP-1.28
Rot. Bonds2

About (2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol

(2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol (PubChem CID 91848517) has the molecular formula C12H22O7 and a molecular weight of 278.30 g/mol. Its IUPAC name is (2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol
PubChem CID91848517
Molecular FormulaC12H22O7
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Name(2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol
SMILESC[C@H]1O[C@H](O)C[C@@H](O[C@@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H]1O
InChIInChI=1S/C12H22O7/c1-5-11(15)7(13)3-10(18-5)19-8-4-9(14)17-6(2)12(8)16/h5-16H,3-4H2,1-2H3/t5-,6-,7-,8-,9+,10-,11-,12-/m1/s1
InChIKeyUYPSAXYOZNLOAC-RGXJTGTOSA-N
XLogP-1.28
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol?
The IUPAC name of (2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol (CID 91848517) is (2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol is C[C@H]1O[C@H](O)C[C@@H](O[C@@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol?
The InChIKey is UYPSAXYOZNLOAC-RGXJTGTOSA-N. The full InChI is InChI=1S/C12H22O7/c1-5-11(15)7(13)3-10(18-5)19-8-4-9(14)17-6(2)12(8)16/h5-16H,3-4H2,1-2H3/t5-,6-,7-,8-,9+,10-,11-,12-/m1/s1.
What are the key properties of (2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol?
(2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol has a molecular weight of 278.30 g/mol, XLogP of -1.28, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol is sourced from PubChem (CID 91848517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).