(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol

C22H34O7 — CID 139788644

IUPAC(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CC(C)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2
InChIInChI=1S/C22H34O7/c1-10(20-19(27)18(26)17(25)15(9-23)28-20)8-22(5)7-6-14-13(4)16(24)11(2)12(3)21(14)29-22/h10,15,17-20,23-27H,6-9H2,1-5H3/t10?,15-,17-,18+,19-,20?,22?/m1/s1
InChIKeyGRMJPXXKFBDEPO-AIIMOLKXSA-N
MW410.51 g/mol
LogP1.27
Rot. Bonds4

About (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol (PubChem CID 139788644) has the molecular formula C22H34O7 and a molecular weight of 410.51 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol
PubChem CID139788644
Molecular FormulaC22H34O7
Molecular Weight410.51 g/mol
Exact Mass410.23
IUPAC Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CC(C)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2
InChIInChI=1S/C22H34O7/c1-10(20-19(27)18(26)17(25)15(9-23)28-20)8-22(5)7-6-14-13(4)16(24)11(2)12(3)21(14)29-22/h10,15,17-20,23-27H,6-9H2,1-5H3/t10?,15-,17-,18+,19-,20?,22?/m1/s1
InChIKeyGRMJPXXKFBDEPO-AIIMOLKXSA-N
XLogP1.27
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 51.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl]oxane-3,4,5-triol
CID 20826721
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]oxane-3,4,5-triol
CID 11143791
6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide
CID 20775272
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]oxane-3,4,5-triol
CID 67934565
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]oxane-3,4,5-triol
CID 25096872
2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol
CID 58280984
(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 59125262
(2R)-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromen-6-ol
CID 147729867
(2S)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol;hydrochloride
CID 141451505
methane;2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 158950682
(2R,3S,4R)-2-(hydroxymethyl)-5-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]oxolane-3,4-diol
CID 25097100
2,5,7,8-tetramethyl-2-[(4R,8S,12S)-4,8,12,13-tetramethyltetradecyl]-3,4-dihydrochromen-6-ol
CID 134876410

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol (CID 139788644) is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol is Cc1c(C)c2c(c(C)c1O)CCC(C)(CC(C)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2.
What is the InChIKey of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol?
The InChIKey is GRMJPXXKFBDEPO-AIIMOLKXSA-N. The full InChI is InChI=1S/C22H34O7/c1-10(20-19(27)18(26)17(25)15(9-23)28-20)8-22(5)7-6-14-13(4)16(24)11(2)12(3)21(14)29-22/h10,15,17-20,23-27H,6-9H2,1-5H3/t10?,15-,17-,18+,19-,20?,22?/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol?
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol has a molecular weight of 410.51 g/mol, XLogP of 1.27, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-2-yl]oxane-3,4,5-triol is sourced from PubChem (CID 139788644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).