9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate

C27H27NO8 — CID 11752251

IUPAC9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(=O)OC[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)C=CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H27NO8/c1-16(29)33-15-24-26(36-18(3)31)25(35-17(2)30)12-13-28(24)27(32)34-14-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-13,23-26H,14-15H2,1-3H3/t24-,25-,26-/m1/s1
InChIKeyDADUFTZCOIKMOZ-TWJOJJKGSA-N
MW493.51 g/mol
LogP3.56
Rot. Bonds6

About 9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate

9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 11752251) has the molecular formula C27H27NO8 and a molecular weight of 493.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID11752251
Molecular FormulaC27H27NO8
Molecular Weight493.51 g/mol
Exact Mass493.17
IUPAC Name9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(=O)OC[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)C=CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H27NO8/c1-16(29)33-15-24-26(36-18(3)31)25(35-17(2)30)12-13-28(24)27(32)34-14-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-13,23-26H,14-15H2,1-3H3/t24-,25-,26-/m1/s1
InChIKeyDADUFTZCOIKMOZ-TWJOJJKGSA-N
XLogP3.56
TPSA108.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

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CID 134831419
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CID 101019320
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CID 129193688
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate (CID 11752251) is 9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate is CC(=O)OC[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)C=CN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is DADUFTZCOIKMOZ-TWJOJJKGSA-N. The full InChI is InChI=1S/C27H27NO8/c1-16(29)33-15-24-26(36-18(3)31)25(35-17(2)30)12-13-28(24)27(32)34-14-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-13,23-26H,14-15H2,1-3H3/t24-,25-,26-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 493.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2R,3R,4R)-3,4-diacetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 11752251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).