(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide

C33H46N2O10Si — CID 23929926

About (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide

(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide (PubChem CID 23929926) has the molecular formula C33H46N2O10Si and a molecular weight of 658.82 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide.

Molecular Properties

• Compound Name: (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide
• PubChem CID: 23929926
• Molecular Formula: C33H46N2O10Si
• Molecular Weight: 658.82 g/mol
• Exact Mass: 658.29
• IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide
• SMILES: C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@@H]1CCc1cccc(NC(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)c1
• InChI: InChI=1S/C33H46N2O10Si/c1-18-24(12-11-19-7-6-10-22(13-19)34-32(41)30-28(39)27(38)29(40)33(42)45-30)44-25(31(18)46(2,3)43)15-26(37)35-16-21-9-5-4-8-20(21)14-23(35)17-36/h4-10,13,18,23-25,27-31,33,36,38-40,42-43H,11-12,14-17H2,1-3H3,(H,34,41)/t18-,23-,24+,25-,27-,28-,29+,30-,31+,33+/m0/s1
• InChIKey: VIEFLHYPQHFOFU-PDVBQAMXSA-N
• XLogP: 0.66
• TPSA: 189.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.82
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide?

The IUPAC name of (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide (CID 23929926) is (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide.

What is the SMILES notation for (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide?

The canonical SMILES for (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide is C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@@H]1CCc1cccc(NC(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)c1.

What is the InChIKey of (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide?

The InChIKey is VIEFLHYPQHFOFU-PDVBQAMXSA-N. The full InChI is InChI=1S/C33H46N2O10Si/c1-18-24(12-11-19-7-6-10-22(13-19)34-32(41)30-28(39)27(38)29(40)33(42)45-30)44-25(31(18)46(2,3)43)15-26(37)35-16-21-9-5-4-8-20(21)14-23(35)17-36/h4-10,13,18,23-25,27-31,33,36,38-40,42-43H,11-12,14-17H2,1-3H3,(H,34,41)/t18-,23-,24+,25-,27-,28-,29+,30-,31+,33+/m0/s1.

What are the key properties of (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide?

(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide has a molecular weight of 658.82 g/mol, XLogP of 0.66, 9 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[3-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]oxane-2-carboxamide is sourced from PubChem (CID 23929926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).