SCS-C002260

Mannitol

Pathway: Carbohydrates Superclass: Saccharides Class: Monosaccharides

Chemical Structure

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Source Information

Eurotium sp. (gorgonian-derived fungus)

Kingdom Fungi Phylum Ascomycota Class Eurotiomycetes Order Eurotiales Family Aspergillaceae Genus Eurotium Species NA

Xuwen

Study on the Secondary Metabolites of Two Fungi from the South China Sea.

Drug-likeness (Lipinski Ro5)

Molecular Weight

182.2 Da

Threshold ≤ 500

ALogP

-3.59

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (HBD) — borderline drug-like

Chemical Properties

Molecular Formula:

C6H14O6

Molecular Weight:

182.1700 Da

SMILES:

OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

InChIKey:

                        FBPFZTCFMRRESA-KVTDHHQDSA-N
                        
                    

InChI:

InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1

Calculated Properties

ALogP:

-3.585 lipophilicity

TPSA:

121.38 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

0 (0 aromatic)

Chiral Centers:

Fsp³:

1.0000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C002260

NPClassifier Pathway:

Carbohydrates

NPClassifier Superclass:

Saccharides

NPClassifier Class:

Monosaccharides

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

No bioactivity data available for this compound.

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