(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

C35H60O7 — CID 25096872

About (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

(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 (PubChem CID 25096872) has the molecular formula C35H60O7 and a molecular weight of 592.86 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 25096872
• Molecular Formula: C35H60O7
• Molecular Weight: 592.86 g/mol
• Exact Mass: 592.43
• IUPAC Name: (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
• SMILES: Cc1c(C)c2c(c(C)c1OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
• InChI: InChI=1S/C35H60O7/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-35(8)19-17-27-26(7)32(24(5)25(6)33(27)42-35)41-34-31(39)30(38)29(37)28(20-36)40-34/h21-23,28-31,34,36-39H,9-20H2,1-8H3/t22?,23?,28-,29+,30+,31-,34?,35?/m1/s1
• InChIKey: BWSBEWKXOZREHV-GCORMQHOSA-N
• XLogP: 6.31
• TPSA: 108.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.86
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is Cc1c(C)c2c(c(C)c1OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2.

What is the InChIKey of (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?

The InChIKey is BWSBEWKXOZREHV-GCORMQHOSA-N. The full InChI is InChI=1S/C35H60O7/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-35(8)19-17-27-26(7)32(24(5)25(6)33(27)42-35)41-34-31(39)30(38)29(37)28(20-36)40-34/h21-23,28-31,34,36-39H,9-20H2,1-8H3/t22?,23?,28-,29+,30+,31-,34?,35?/m1/s1.

What are the key properties of (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?

(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 has a molecular weight of 592.86 g/mol, XLogP of 6.31, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 25096872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).