(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol

C26H34O7 — CID 139969553

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol
SMILESCc1ccc2c(c1)OC(C)(c1ccc(C)cc1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C
InChIInChI=1S/C26H34O7/c1-14-7-9-17(18(10-14)31-24-23(30)22(29)21(28)20(12-27)32-24)26(5)13-25(3,4)16-8-6-15(2)11-19(16)33-26/h6-11,20-24,27-30H,12-13H2,1-5H3/t20-,21-,22+,23-,24?,26?/m1/s1
InChIKeyNLFQICVSGKQLIH-SXMDYVCZSA-N
MW458.55 g/mol
LogP2.46
Rot. Bonds4

About (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol (PubChem CID 139969553) has the molecular formula C26H34O7 and a molecular weight of 458.55 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol
PubChem CID139969553
Molecular FormulaC26H34O7
Molecular Weight458.55 g/mol
Exact Mass458.23
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol
SMILESCc1ccc2c(c1)OC(C)(c1ccc(C)cc1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C
InChIInChI=1S/C26H34O7/c1-14-7-9-17(18(10-14)31-24-23(30)22(29)21(28)20(12-27)32-24)26(5)13-25(3,4)16-8-6-15(2)11-19(16)33-26/h6-11,20-24,27-30H,12-13H2,1-5H3/t20-,21-,22+,23-,24?,26?/m1/s1
InChIKeyNLFQICVSGKQLIH-SXMDYVCZSA-N
XLogP2.46
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxy-4-methylphenoxy)oxane-3,4,5-triol
CID 90127111
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
CID 26917484
2-(2,3-dihydroxy-5-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 22266908
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(2S,3R,4S,5S,6R)-2-[2-[(2,4-dimethylphenyl)methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10156256
(3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58061940
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methylphenoxy]oxane-3,4,5-triol
CID 11069360
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 742489
2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 2844791
(2R,3R,4S,5R,6R)-2-(2,4-dichlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162853406
(2S,3S,4R,5R,6S)-2-(2,4-dichlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124897409

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol (CID 139969553) is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol is Cc1ccc2c(c1)OC(C)(c1ccc(C)cc1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol?
The InChIKey is NLFQICVSGKQLIH-SXMDYVCZSA-N. The full InChI is InChI=1S/C26H34O7/c1-14-7-9-17(18(10-14)31-24-23(30)22(29)21(28)20(12-27)32-24)26(5)13-25(3,4)16-8-6-15(2)11-19(16)33-26/h6-11,20-24,27-30H,12-13H2,1-5H3/t20-,21-,22+,23-,24?,26?/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol has a molecular weight of 458.55 g/mol, XLogP of 2.46, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol is sourced from PubChem (CID 139969553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).