(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol

C29H31NO10 — CID 76684513

IUPAC(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol
SMILESCn1c2cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc2c2ccc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc21
InChIInChI=1S/C29H31NO10/c1-30-18-10-14(4-8-20-24(33)28(37)26(35)22(12-31)39-20)2-6-16(18)17-7-3-15(11-19(17)30)5-9-21-25(34)29(38)27(36)23(13-32)40-21/h2-3,6-7,10-11,20-29,31-38H,12-13H2,1H3/t20-,21-,22-,23-,24-,25-,26-,27-,28-,29-/m1/s1
InChIKeyUFACONJNUYYKPL-VEDGSLNGSA-N
MW553.56 g/mol
LogP-2.28
Rot. Bonds2

About (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol

(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol (PubChem CID 76684513) has the molecular formula C29H31NO10 and a molecular weight of 553.56 g/mol. Its IUPAC name is (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol
PubChem CID76684513
Molecular FormulaC29H31NO10
Molecular Weight553.56 g/mol
Exact Mass553.19
IUPAC Name(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol
SMILESCn1c2cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc2c2ccc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc21
InChIInChI=1S/C29H31NO10/c1-30-18-10-14(4-8-20-24(33)28(37)26(35)22(12-31)39-20)2-6-16(18)17-7-3-15(11-19(17)30)5-9-21-25(34)29(38)27(36)23(13-32)40-21/h2-3,6-7,10-11,20-29,31-38H,12-13H2,1H3/t20-,21-,22-,23-,24-,25-,26-,27-,28-,29-/m1/s1
InChIKeyUFACONJNUYYKPL-VEDGSLNGSA-N
XLogP-2.28
TPSA185.23 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500553.56
LogP ≤ 5-2.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol (CID 76684513) is (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol is Cn1c2cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc2c2ccc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc21.
What is the InChIKey of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol?
The InChIKey is UFACONJNUYYKPL-VEDGSLNGSA-N. The full InChI is InChI=1S/C29H31NO10/c1-30-18-10-14(4-8-20-24(33)28(37)26(35)22(12-31)39-20)2-6-16(18)17-7-3-15(11-19(17)30)5-9-21-25(34)29(38)27(36)23(13-32)40-21/h2-3,6-7,10-11,20-29,31-38H,12-13H2,1H3/t20-,21-,22-,23-,24-,25-,26-,27-,28-,29-/m1/s1.
What are the key properties of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol?
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol has a molecular weight of 553.56 g/mol, XLogP of -2.28, 2 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[9-methyl-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]oxane-3,4,5-triol is sourced from PubChem (CID 76684513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).