9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate

C23H25NO8 — CID 175378756

IUPAC9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
SMILESCC(=O)N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C23H25NO8/c1-12(26)24(19-21(28)20(27)18(10-25)32-22(19)29)23(30)31-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-22,25,27-29H,10-11H2,1H3/t18-,19-,20-,21-,22-/m1/s1
InChIKeyUSJOJQJAURQXOE-ZGJYDULXSA-N
MW443.45 g/mol
LogP0.58
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate

9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate (PubChem CID 175378756) has the molecular formula C23H25NO8 and a molecular weight of 443.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
PubChem CID175378756
Molecular FormulaC23H25NO8
Molecular Weight443.45 g/mol
Exact Mass443.16
IUPAC Name9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
SMILESCC(=O)N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C23H25NO8/c1-12(26)24(19-21(28)20(27)18(10-25)32-22(19)29)23(30)31-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-22,25,27-29H,10-11H2,1H3/t18-,19-,20-,21-,22-/m1/s1
InChIKeyUSJOJQJAURQXOE-ZGJYDULXSA-N
XLogP0.58
TPSA136.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-butanoyl-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CID 139295943
9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]carbamate
CID 67640853
ethyl N-butanoyl-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CID 139295382
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]-N-[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]carbamate
CID 164830264
9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate
CID 132574983
9H-fluoren-9-ylmethyl N-[(2R)-3-(acetamidomethylsulfanyl)-1-oxo-1-[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamate
CID 15386175
(2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 20611016
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol
CID 131735079
9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 167441327
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate (CID 175378756) is 9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate is CC(=O)N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?
The InChIKey is USJOJQJAURQXOE-ZGJYDULXSA-N. The full InChI is InChI=1S/C23H25NO8/c1-12(26)24(19-21(28)20(27)18(10-25)32-22(19)29)23(30)31-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-22,25,27-29H,10-11H2,1H3/t18-,19-,20-,21-,22-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?
9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate has a molecular weight of 443.45 g/mol, XLogP of 0.58, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate is sourced from PubChem (CID 175378756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).