(2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol

C30H48O10S — CID 130358887

IUPAC(2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol
SMILESC=C(C(C)C[C@H](O)CC[C@H](O)CO)C(O)C[C@@H]1O[C@H](CC2COC(C)(C)O2)[C@H](OC)[C@H]1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C30H48O10S/c1-19(13-21(32)11-12-22(33)16-31)20(2)26(34)15-27-25(18-41(35,36)24-9-7-6-8-10-24)29(37-5)28(39-27)14-23-17-38-30(3,4)40-23/h6-10,19,21-23,25-29,31-34H,2,11-18H2,1,3-5H3/t19?,21-,22+,23?,25+,26?,27+,28-,29-/m1/s1
InChIKeyZNRYLSJABNLNMO-TZIPWHHESA-N
MW600.77 g/mol
LogP2.23
Rot. Bonds16

About (2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol

(2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol (PubChem CID 130358887) has the molecular formula C30H48O10S and a molecular weight of 600.77 g/mol. Its IUPAC name is (2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol.

Molecular Properties

Compound Name(2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol
PubChem CID130358887
Molecular FormulaC30H48O10S
Molecular Weight600.77 g/mol
Exact Mass600.30
IUPAC Name(2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol
SMILESC=C(C(C)C[C@H](O)CC[C@H](O)CO)C(O)C[C@@H]1O[C@H](CC2COC(C)(C)O2)[C@H](OC)[C@H]1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C30H48O10S/c1-19(13-21(32)11-12-22(33)16-31)20(2)26(34)15-27-25(18-41(35,36)24-9-7-6-8-10-24)29(37-5)28(39-27)14-23-17-38-30(3,4)40-23/h6-10,19,21-23,25-29,31-34H,2,11-18H2,1,3-5H3/t19?,21-,22+,23?,25+,26?,27+,28-,29-/m1/s1
InChIKeyZNRYLSJABNLNMO-TZIPWHHESA-N
XLogP2.23
TPSA151.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.77
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol?
The IUPAC name of (2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol (CID 130358887) is (2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol.
What is the SMILES notation for (2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol?
The canonical SMILES for (2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol is C=C(C(C)C[C@H](O)CC[C@H](O)CO)C(O)C[C@@H]1O[C@H](CC2COC(C)(C)O2)[C@H](OC)[C@H]1CS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol?
The InChIKey is ZNRYLSJABNLNMO-TZIPWHHESA-N. The full InChI is InChI=1S/C30H48O10S/c1-19(13-21(32)11-12-22(33)16-31)20(2)26(34)15-27-25(18-41(35,36)24-9-7-6-8-10-24)29(37-5)28(39-27)14-23-17-38-30(3,4)40-23/h6-10,19,21-23,25-29,31-34H,2,11-18H2,1,3-5H3/t19?,21-,22+,23?,25+,26?,27+,28-,29-/m1/s1.
What are the key properties of (2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol?
(2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol has a molecular weight of 600.77 g/mol, XLogP of 2.23, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-10-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyoxolan-2-yl]-7-methyl-8-methylidenedecane-1,2,5,9-tetrol is sourced from PubChem (CID 130358887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).