(1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol

C15H28O10 — CID 90897149

IUPAC(1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol
SMILESOCC1CC(COC[C@]2(CO)O[C@H](CO)C(O)[C@H]2O)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H28O10/c16-2-7-1-8(11(20)13(22)10(7)19)4-24-6-15(5-18)14(23)12(21)9(3-17)25-15/h7-14,16-23H,1-6H2/t7?,8?,9-,10-,11?,12?,13-,14-,15+/m1/s1
InChIKeyOOFVDBZRFDKXMP-KTZUANMYSA-N
MW368.38 g/mol
LogP-4.44
Rot. Bonds7

About (1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol

(1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol (PubChem CID 90897149) has the molecular formula C15H28O10 and a molecular weight of 368.38 g/mol. Its IUPAC name is (1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol
PubChem CID90897149
Molecular FormulaC15H28O10
Molecular Weight368.38 g/mol
Exact Mass368.17
IUPAC Name(1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol
SMILESOCC1CC(COC[C@]2(CO)O[C@H](CO)C(O)[C@H]2O)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H28O10/c16-2-7-1-8(11(20)13(22)10(7)19)4-24-6-15(5-18)14(23)12(21)9(3-17)25-15/h7-14,16-23H,1-6H2/t7?,8?,9-,10-,11?,12?,13-,14-,15+/m1/s1
InChIKeyOOFVDBZRFDKXMP-KTZUANMYSA-N
XLogP-4.44
TPSA180.30 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 5-4.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze (1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol with MolForge

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Related Compounds

(1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol;(3S,6R)-2-(hydroxymethyl)-6-[[(2R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-3,4,5-triol;(3R,4R,6S)-2-(hydroxymethyl)-6-[(3S,4S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-6-[(3S,4S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 158764070
(2S,4S,5R)-2-[[(3R,4S,6S)-6-[[(2S,4S,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59782475
[(2R,4R,5S)-2-[[(2S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 70862749
(1R,2S,4S)-4-[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 149420071
(2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 164831265
(2R,4S,5S)-2-[[(2S,3R,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl]-5-chloro-6-(hydroxymethyl)oxane-3,4-diol
CID 88973228
[(2R,3S,4R,5R,6R)-6-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
CID 10369399
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol
CID 58212467
(2S,3S,4S,5R,6S)-6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 163199414
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 176819979

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol?
The IUPAC name of (1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol (CID 90897149) is (1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol.
What is the SMILES notation for (1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol?
The canonical SMILES for (1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol is OCC1CC(COC[C@]2(CO)O[C@H](CO)C(O)[C@H]2O)C(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol?
The InChIKey is OOFVDBZRFDKXMP-KTZUANMYSA-N. The full InChI is InChI=1S/C15H28O10/c16-2-7-1-8(11(20)13(22)10(7)19)4-24-6-15(5-18)14(23)12(21)9(3-17)25-15/h7-14,16-23H,1-6H2/t7?,8?,9-,10-,11?,12?,13-,14-,15+/m1/s1.
What are the key properties of (1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol?
(1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol has a molecular weight of 368.38 g/mol, XLogP of -4.44, 7 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-4-[[(2S,3R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol is sourced from PubChem (CID 90897149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).