(2S,3S)-3-phenylmethoxybutane-1,2,4-triol

C11H16O4 — CID 10921802

IUPAC(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
SMILESOC[C@H](OCc1ccccc1)[C@@H](O)CO
InChIInChI=1S/C11H16O4/c12-6-10(14)11(7-13)15-8-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11-/m0/s1
InChIKeyYYGZBCNOJHZTGA-QWRGUYRKSA-N
MW212.25 g/mol
LogP-0.08
Rot. Bonds6

About (2S,3S)-3-phenylmethoxybutane-1,2,4-triol

(2S,3S)-3-phenylmethoxybutane-1,2,4-triol (PubChem CID 10921802) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S,3S)-3-phenylmethoxybutane-1,2,4-triol.

Molecular Properties

Compound Name(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
PubChem CID10921802
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
SMILESOC[C@H](OCc1ccccc1)[C@@H](O)CO
InChIInChI=1S/C11H16O4/c12-6-10(14)11(7-13)15-8-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11-/m0/s1
InChIKeyYYGZBCNOJHZTGA-QWRGUYRKSA-N
XLogP-0.08
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
(2S)-2-phenylmethoxyhenicosane-1,3-diol
CID 70526440
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
(2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol
CID 69033542
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
3-methyl-2-phenylmethoxypentan-1-ol
CID 123785184
(E,2R,3S)-3-phenylmethoxynon-5-ene-1,2,9-triol
CID 100933874
(3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal
CID 87262078
3,4-dihydroxy-2-phenylmethoxybutanal
CID 174530051
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-phenylmethoxybutane-1,2,4-triol?
The IUPAC name of (2S,3S)-3-phenylmethoxybutane-1,2,4-triol (CID 10921802) is (2S,3S)-3-phenylmethoxybutane-1,2,4-triol.
What is the SMILES notation for (2S,3S)-3-phenylmethoxybutane-1,2,4-triol?
The canonical SMILES for (2S,3S)-3-phenylmethoxybutane-1,2,4-triol is OC[C@H](OCc1ccccc1)[C@@H](O)CO.
What is the InChIKey of (2S,3S)-3-phenylmethoxybutane-1,2,4-triol?
The InChIKey is YYGZBCNOJHZTGA-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H16O4/c12-6-10(14)11(7-13)15-8-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-3-phenylmethoxybutane-1,2,4-triol?
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol has a molecular weight of 212.25 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-phenylmethoxybutane-1,2,4-triol is sourced from PubChem (CID 10921802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).