[(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate

C27H24N2O11 — CID 11103619

IUPAC[(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate
SMILESNC(=O)NC(=O)OC[C@H]1O[C@@H](Oc2c(O)cc3c4c(ccc(-c5ccccc5)c24)C(=O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C27H24N2O11/c28-26(36)29-27(37)38-10-17-21(33)22(34)23(35)25(39-17)40-24-16(31)9-12-8-15(30)20(32)14-7-6-13(19(24)18(12)14)11-4-2-1-3-5-11/h1-9,17,21-23,25,30-31,33-35H,10H2,(H3,28,29,36,37)/t17-,21-,22+,23-,25+/m1/s1
InChIKeyUAZMCQYNPUKNOV-ZJHKXHAFSA-N
MW552.49 g/mol
LogP1.30
Rot. Bonds5

About [(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate

[(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate (PubChem CID 11103619) has the molecular formula C27H24N2O11 and a molecular weight of 552.49 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate.

Molecular Properties

Compound Name[(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate
PubChem CID11103619
Molecular FormulaC27H24N2O11
Molecular Weight552.49 g/mol
Exact Mass552.14
IUPAC Name[(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate
SMILESNC(=O)NC(=O)OC[C@H]1O[C@@H](Oc2c(O)cc3c4c(ccc(-c5ccccc5)c24)C(=O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C27H24N2O11/c28-26(36)29-27(37)38-10-17-21(33)22(34)23(35)25(39-17)40-24-16(31)9-12-8-15(30)20(32)14-7-6-13(19(24)18(12)14)11-4-2-1-3-5-11/h1-9,17,21-23,25,30-31,33-35H,10H2,(H3,28,29,36,37)/t17-,21-,22+,23-,25+/m1/s1
InChIKeyUAZMCQYNPUKNOV-ZJHKXHAFSA-N
XLogP1.30
TPSA218.10 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500552.49
LogP ≤ 51.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze [(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate 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

7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one
CID 162980606
3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid
CID 11968477
5-hydroxy-2-phenyl-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 68734984
5,7-dihydroxy-2-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 5321896
5,7-dihydroxy-4-oxo-2-phenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-8-sulfonic acid
CID 74085883
[6-(3,4-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
CID 73104452
5,7-dihydroxy-2-phenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 5488496
5,7-dihydroxy-2-phenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 74977986
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
CID 10741653
3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
CID 163040327
5,6-dihydroxy-2-phenyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 101243894
3-oxo-3-[[(3S,5S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
CID 122663052

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate?
The IUPAC name of [(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate (CID 11103619) is [(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate.
What is the SMILES notation for [(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate?
The canonical SMILES for [(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate is NC(=O)NC(=O)OC[C@H]1O[C@@H](Oc2c(O)cc3c4c(ccc(-c5ccccc5)c24)C(=O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate?
The InChIKey is UAZMCQYNPUKNOV-ZJHKXHAFSA-N. The full InChI is InChI=1S/C27H24N2O11/c28-26(36)29-27(37)38-10-17-21(33)22(34)23(35)25(39-17)40-24-16(31)9-12-8-15(30)20(32)14-7-6-13(19(24)18(12)14)11-4-2-1-3-5-11/h1-9,17,21-23,25,30-31,33-35H,10H2,(H3,28,29,36,37)/t17-,21-,22+,23-,25+/m1/s1.
What are the key properties of [(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate?
[(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate has a molecular weight of 552.49 g/mol, XLogP of 1.30, 5 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate is sourced from PubChem (CID 11103619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).