6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide

C20H29NO8 — CID 20775272

IUPAC6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NC1C(O)OC(CO)C(O)C1O)O2
InChIInChI=1S/C20H29NO8/c1-8-9(2)17-11(10(3)14(8)23)5-6-20(4,29-17)19(27)21-13-16(25)15(24)12(7-22)28-18(13)26/h12-13,15-16,18,22-26H,5-7H2,1-4H3,(H,21,27)
InChIKeyGTOGXVZDTGNLKU-UHFFFAOYSA-N
MW411.45 g/mol
LogP-0.68
Rot. Bonds3

About 6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide

6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide (PubChem CID 20775272) has the molecular formula C20H29NO8 and a molecular weight of 411.45 g/mol. Its IUPAC name is 6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide
PubChem CID20775272
Molecular FormulaC20H29NO8
Molecular Weight411.45 g/mol
Exact Mass411.19
IUPAC Name6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NC1C(O)OC(CO)C(O)C1O)O2
InChIInChI=1S/C20H29NO8/c1-8-9(2)17-11(10(3)14(8)23)5-6-20(4,29-17)19(27)21-13-16(25)15(24)12(7-22)28-18(13)26/h12-13,15-16,18,22-26H,5-7H2,1-4H3,(H,21,27)
InChIKeyGTOGXVZDTGNLKU-UHFFFAOYSA-N
XLogP-0.68
TPSA148.71 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 5-0.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 67262914
(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
(2S)-6-hydroxy-2,5,7,8-tetramethyl-N-[(3R)-piperidin-3-yl]-3,4-dihydrochromene-2-carboxamide
CID 72710875
1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone
CID 59879197
(2R)-6-hydroxy-N',N',2,5,7,8-hexamethyl-3,4-dihydrochromene-2-carbohydrazide
CID 11779110
N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
CID 72948200
(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
(2R)-5-amino-2-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid
CID 140931004
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 122492503
N-[(3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 11845328
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide (CID 20775272) is 6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for 6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for 6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NC1C(O)OC(CO)C(O)C1O)O2.
What is the InChIKey of 6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide?
The InChIKey is GTOGXVZDTGNLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO8/c1-8-9(2)17-11(10(3)14(8)23)5-6-20(4,29-17)19(27)21-13-16(25)15(24)12(7-22)28-18(13)26/h12-13,15-16,18,22-26H,5-7H2,1-4H3,(H,21,27).
What are the key properties of 6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide?
6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide has a molecular weight of 411.45 g/mol, XLogP of -0.68, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 20775272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).