(2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol

C13H24O12 — CID 67920059

IUPAC(2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol
SMILESCO[C@H]1[C@H](OC[C@@]2(O)OC(O)[C@H](O)[C@@H](O)[C@H]2O)OC(CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H24O12/c1-22-9-6(16)5(15)4(2-14)24-12(9)23-3-13(21)10(19)7(17)8(18)11(20)25-13/h4-12,14-21H,2-3H2,1H3/t4?,5-,6-,7+,8+,9+,10+,11?,12+,13+/m0/s1
InChIKeyPERJKGZAXCLLNR-OGMVXIOBSA-N
MW372.32 g/mol
LogP-5.42
Rot. Bonds5

About (2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol

(2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol (PubChem CID 67920059) has the molecular formula C13H24O12 and a molecular weight of 372.32 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol
PubChem CID67920059
Molecular FormulaC13H24O12
Molecular Weight372.32 g/mol
Exact Mass372.13
IUPAC Name(2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol
SMILESCO[C@H]1[C@H](OC[C@@]2(O)OC(O)[C@H](O)[C@@H](O)[C@H]2O)OC(CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H24O12/c1-22-9-6(16)5(15)4(2-14)24-12(9)23-3-13(21)10(19)7(17)8(18)11(20)25-13/h4-12,14-21H,2-3H2,1H3/t4?,5-,6-,7+,8+,9+,10+,11?,12+,13+/m0/s1
InChIKeyPERJKGZAXCLLNR-OGMVXIOBSA-N
XLogP-5.42
TPSA198.76 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500372.32
LogP ≤ 5-5.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze (2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol with MolForge

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Related Compounds

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-5,6-dimethoxyoxane-3,4-diol
CID 11117256
(2R,3S,4S,5R)-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 102214945
(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol
CID 118541931
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxan-2-yl]methoxy]oxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171123412
ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 170573273
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 153463753
(3R,4R,5R)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 58090235

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol?
The IUPAC name of (2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol (CID 67920059) is (2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol.
What is the SMILES notation for (2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol?
The canonical SMILES for (2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol is CO[C@H]1[C@H](OC[C@@]2(O)OC(O)[C@H](O)[C@@H](O)[C@H]2O)OC(CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol?
The InChIKey is PERJKGZAXCLLNR-OGMVXIOBSA-N. The full InChI is InChI=1S/C13H24O12/c1-22-9-6(16)5(15)4(2-14)24-12(9)23-3-13(21)10(19)7(17)8(18)11(20)25-13/h4-12,14-21H,2-3H2,1H3/t4?,5-,6-,7+,8+,9+,10+,11?,12+,13+/m0/s1.
What are the key properties of (2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol?
(2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol has a molecular weight of 372.32 g/mol, XLogP of -5.42, 5 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-[[(2R,3R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxymethyl]oxane-2,3,4,5,6-pentol is sourced from PubChem (CID 67920059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).