(2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol

C11H16O5 — CID 69033542

IUPAC(2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol
SMILESOC[C@H](O)[C@@H](O)C(O)OCc1ccccc1
InChIInChI=1S/C11H16O5/c12-6-9(13)10(14)11(15)16-7-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11?/m0/s1
InChIKeyBSWPLMLOALXCLA-MTULOOOASA-N
MW228.24 g/mol
LogP-0.76
Rot. Bonds6

About (2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol

(2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol (PubChem CID 69033542) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is (2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol
PubChem CID69033542
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol
SMILESOC[C@H](O)[C@@H](O)C(O)OCc1ccccc1
InChIInChI=1S/C11H16O5/c12-6-9(13)10(14)11(15)16-7-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11?/m0/s1
InChIKeyBSWPLMLOALXCLA-MTULOOOASA-N
XLogP-0.76
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
6-phenylmethoxyheptane-1,2,3,4,5-pentol
CID 174419324
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-phenylmethoxyhexanal
CID 88598218
2,4,5,6-tetrahydroxy-3-phenylmethoxyhexanal
CID 561693
3,4-dihydroxy-2-phenylmethoxybutanal
CID 174530051
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
2-fluoro-3-phenylmethoxypropane-1,1,3-triol
CID 71187743
(2R,3S)-4,4-dimethyl-3-phenylmethoxyhex-5-ene-1,2-diol
CID 165415763
(2S,3S,4S,5S)-7-phenylheptane-1,2,3,4,5,6-hexol
CID 159388961
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol?
The IUPAC name of (2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol (CID 69033542) is (2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol is OC[C@H](O)[C@@H](O)C(O)OCc1ccccc1.
What is the InChIKey of (2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol?
The InChIKey is BSWPLMLOALXCLA-MTULOOOASA-N. The full InChI is InChI=1S/C11H16O5/c12-6-9(13)10(14)11(15)16-7-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11?/m0/s1.
What are the key properties of (2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol?
(2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol has a molecular weight of 228.24 g/mol, XLogP of -0.76, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol is sourced from PubChem (CID 69033542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).