2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol

C17H24O9 — CID 155889463

IUPAC2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol
SMILESOC1COC(OC2COC(OCc3ccccc3)C(O)C2O)C(O)C1O
InChIInChI=1S/C17H24O9/c18-10-7-24-17(14(21)12(10)19)26-11-8-25-16(15(22)13(11)20)23-6-9-4-2-1-3-5-9/h1-5,10-22H,6-8H2
InChIKeyCOVJUVXXRSHKFY-UHFFFAOYSA-N
MW372.37 g/mol
LogP-1.89
Rot. Bonds5

About 2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol

2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol (PubChem CID 155889463) has the molecular formula C17H24O9 and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol
PubChem CID155889463
Molecular FormulaC17H24O9
Molecular Weight372.37 g/mol
Exact Mass372.14
IUPAC Name2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol
SMILESOC1COC(OC2COC(OCc3ccccc3)C(O)C2O)C(O)C1O
InChIInChI=1S/C17H24O9/c18-10-7-24-17(14(21)12(10)19)26-11-8-25-16(15(22)13(11)20)23-6-9-4-2-1-3-5-9/h1-5,10-22H,6-8H2
InChIKeyCOVJUVXXRSHKFY-UHFFFAOYSA-N
XLogP-1.89
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 5-1.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11253449
(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962
[(3S,4R,5R,6R)-4,5-dihydroxy-6-phenylmethoxyoxan-3-yl] benzoate
CID 102458437
(2S,3S,4R,5R)-5-bromo-2-phenylmethoxyoxane-3,4-diol
CID 125469481
(3R,4S,5S,6R)-2-phenylmethoxy-6-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 163193773
(2R,3S,4S,5S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 162899851
2-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 74378451
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 156619104
(3R,4R,5S,6R)-4,5-dihydroxy-6-phenylmethoxyoxane-3-carbonitrile
CID 12002844
(1S,4S,5S,6R)-4-phenylmethoxy-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 15939647
3-phenylmethoxyoxane-2,4,5-triol
CID 19602254
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-sulfanyloxan-3-yl]oxyoxane-3,4,5-triol
CID 10929340

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol?
The IUPAC name of 2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol (CID 155889463) is 2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol.
What is the SMILES notation for 2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol?
The canonical SMILES for 2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol is OC1COC(OC2COC(OCc3ccccc3)C(O)C2O)C(O)C1O.
What is the InChIKey of 2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol?
The InChIKey is COVJUVXXRSHKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O9/c18-10-7-24-17(14(21)12(10)19)26-11-8-25-16(15(22)13(11)20)23-6-9-4-2-1-3-5-9/h1-5,10-22H,6-8H2.
What are the key properties of 2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol?
2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol has a molecular weight of 372.37 g/mol, XLogP of -1.89, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol is sourced from PubChem (CID 155889463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).