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

C30H33NO11 — CID 90238345

IUPAC(2R,3R,4R,5S,6R)-2-[2-[9-(2-hydroxyethyl)-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCCn1c2cc(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/C30H33NO11/c32-10-9-31-19-11-15(3-7-21-25(35)29(39)27(37)23(13-33)41-21)1-5-17(19)18-6-2-16(12-20(18)31)4-8-22-26(36)30(40)28(38)24(14-34)42-22/h1-2,5-6,11-12,21-30,32-40H,9-10,13-14H2/t21-,22-,23-,24-,25-,26+,27-,28-,29-,30-/m1/s1
InChIKeyHMYNQVMEPFQDLE-DQKXWWCFSA-N
MW583.59 g/mol
LogP-2.83
Rot. Bonds4

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

(2R,3R,4R,5S,6R)-2-[2-[9-(2-hydroxyethyl)-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 90238345) has the molecular formula C30H33NO11 and a molecular weight of 583.59 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-2-[2-[9-(2-hydroxyethyl)-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-2-[2-[9-(2-hydroxyethyl)-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID90238345
Molecular FormulaC30H33NO11
Molecular Weight583.59 g/mol
Exact Mass583.21
IUPAC Name(2R,3R,4R,5S,6R)-2-[2-[9-(2-hydroxyethyl)-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCCn1c2cc(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/C30H33NO11/c32-10-9-31-19-11-15(3-7-21-25(35)29(39)27(37)23(13-33)41-21)1-5-17(19)18-6-2-16(12-20(18)31)4-8-22-26(36)30(40)28(38)24(14-34)42-22/h1-2,5-6,11-12,21-30,32-40H,9-10,13-14H2/t21-,22-,23-,24-,25-,26+,27-,28-,29-,30-/m1/s1
InChIKeyHMYNQVMEPFQDLE-DQKXWWCFSA-N
XLogP-2.83
TPSA205.46 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500583.59
LogP ≤ 5-2.83
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-2-[2-[9-(2-hydroxyethyl)-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S,6R)-2-[2-[9-(2-hydroxyethyl)-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 90238345) is (2R,3R,4R,5S,6R)-2-[2-[9-(2-hydroxyethyl)-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-2-[2-[9-(2-hydroxyethyl)-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S,6R)-2-[2-[9-(2-hydroxyethyl)-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol is OCCn1c2cc(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,3R,4R,5S,6R)-2-[2-[9-(2-hydroxyethyl)-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is HMYNQVMEPFQDLE-DQKXWWCFSA-N. The full InChI is InChI=1S/C30H33NO11/c32-10-9-31-19-11-15(3-7-21-25(35)29(39)27(37)23(13-33)41-21)1-5-17(19)18-6-2-16(12-20(18)31)4-8-22-26(36)30(40)28(38)24(14-34)42-22/h1-2,5-6,11-12,21-30,32-40H,9-10,13-14H2/t21-,22-,23-,24-,25-,26+,27-,28-,29-,30-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-2-[2-[9-(2-hydroxyethyl)-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4R,5S,6R)-2-[2-[9-(2-hydroxyethyl)-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 583.59 g/mol, XLogP of -2.83, 4 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-2-[2-[9-(2-hydroxyethyl)-7-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]carbazol-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 90238345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).