9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate

C24H25NO6 — CID 170835599

IUPAC9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate
SMILESCOCc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)o1
InChIInChI=1S/C24H25NO6/c1-29-13-15-10-11-22(31-15)23(27)21(26)12-25-24(28)30-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-11,20-21,23,26-27H,12-14H2,1H3,(H,25,28)
InChIKeyIRGGJKNDWMRZQI-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.36
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate (PubChem CID 170835599) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate
PubChem CID170835599
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate
SMILESCOCc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)o1
InChIInChI=1S/C24H25NO6/c1-29-13-15-10-11-22(31-15)23(27)21(26)12-25-24(28)30-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-11,20-21,23,26-27H,12-14H2,1H3,(H,25,28)
InChIKeyIRGGJKNDWMRZQI-UHFFFAOYSA-N
XLogP3.36
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3,4-diaminophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833851
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833730
N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide
CID 170831484
9H-fluoren-9-ylmethyl N-[3-(2,6-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833738
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833941
9H-fluoren-9-ylmethyl N-[3-(2-amino-6-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833889
9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834099
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(4-hydroxyphenyl)phenyl]propyl]carbamate
CID 170835144
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-iodophenyl)propyl]carbamate
CID 170835442
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-4,5-dimethoxybenzoic acid
CID 170835112
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-methylsulfanylphenyl)propyl]carbamate
CID 170833717

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate (CID 170835599) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate is COCc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)o1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate?
The InChIKey is IRGGJKNDWMRZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-29-13-15-10-11-22(31-15)23(27)21(26)12-25-24(28)30-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-11,20-21,23,26-27H,12-14H2,1H3,(H,25,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate?
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate has a molecular weight of 423.47 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate is sourced from PubChem (CID 170835599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).