(2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol

C7H12O5 — CID 123873884

IUPAC(2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
SMILESOCC1=CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H12O5/c8-1-4-3-12-5(2-9)7(11)6(4)10/h3,5-11H,1-2H2/t5-,6-,7+/m1/s1
InChIKeyNROXHTKGLVHQME-QYNIQEEDSA-N
MW176.17 g/mol
LogP-2.02
Rot. Bonds2

About (2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol

(2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 123873884) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is (2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID123873884
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name(2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
SMILESOCC1=CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H12O5/c8-1-4-3-12-5(2-9)7(11)6(4)10/h3,5-11H,1-2H2/t5-,6-,7+/m1/s1
InChIKeyNROXHTKGLVHQME-QYNIQEEDSA-N
XLogP-2.02
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Lichenan
CID 439241
1,5-Anhydro-D-Arabino-Hex-1-Enitol
CID 24885981
2,6-Anhydro-1-deoxygluco-hept-1-enitol
CID 188267
2,6-Anhydro-1-deoxygalacto-hept-1-enitol
CID 70004438
(2R,3R,4R)-2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 167408651
Gluco-heptenitol
CID 129762466
(2R,3R)-2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 165180134
2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 175782068
d-Manno-heptenitol
CID 129671834
2,6-Anhydro-7-deoxy--d-talo-hept-6-enitol
CID 129775385
2-Hydroxygalactal
CID 129887623
(3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 134863566

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol (CID 123873884) is (2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol is OCC1=CO[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is NROXHTKGLVHQME-QYNIQEEDSA-N. The full InChI is InChI=1S/C7H12O5/c8-1-4-3-12-5(2-9)7(11)6(4)10/h3,5-11H,1-2H2/t5-,6-,7+/m1/s1.
What are the key properties of (2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
(2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 176.17 g/mol, XLogP of -2.02, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 123873884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).