(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol

C6H12O6 — CID 44603614

IUPAC(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
SMILESOC[C@@H]1OC(O)[C@](O)(CO)[C@H]1O
InChIInChI=1S/C6H12O6/c7-1-3-4(9)6(11,2-8)5(10)12-3/h3-5,7-11H,1-2H2/t3-,4-,5?,6-/m0/s1
InChIKeyQQWKIYSNDOXBOU-YTCQNVEASA-N
MW180.16 g/mol
LogP-3.22
Rot. Bonds2

About (3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol

(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol (PubChem CID 44603614) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
PubChem CID44603614
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
SMILESOC[C@@H]1OC(O)[C@](O)(CO)[C@H]1O
InChIInChI=1S/C6H12O6/c7-1-3-4(9)6(11,2-8)5(10)12-3/h3-5,7-11H,1-2H2/t3-,4-,5?,6-/m0/s1
InChIKeyQQWKIYSNDOXBOU-YTCQNVEASA-N
XLogP-3.22
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-3.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 134824480
(2S,4R,5R)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 131203511
(1S,4R,5R,6R)-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-1,2,5,6-tetrol
CID 91393562
(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 14057748
(3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 91278110
(2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 88980068
6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 22286958
(2S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 101196422
(2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol
CID 131865258
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 118961526
(2S,3S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,4,5-pentol
CID 134812037
(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 163366047

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol?
The IUPAC name of (3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol (CID 44603614) is (3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol?
The canonical SMILES for (3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol is OC[C@@H]1OC(O)[C@](O)(CO)[C@H]1O.
What is the InChIKey of (3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol?
The InChIKey is QQWKIYSNDOXBOU-YTCQNVEASA-N. The full InChI is InChI=1S/C6H12O6/c7-1-3-4(9)6(11,2-8)5(10)12-3/h3-5,7-11H,1-2H2/t3-,4-,5?,6-/m0/s1.
What are the key properties of (3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol?
(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol has a molecular weight of 180.16 g/mol, XLogP of -3.22, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 44603614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).