(1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol

C30H43NO10 — CID 90225375

IUPAC(1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol
SMILESCCCCN(C[C@H](O)[C@@H](O)[C@@H]1OC(c2ccccc2)OC[C@H]1O)C[C@H](O)[C@@H](O)[C@@H]1OC(c2ccccc2)OC[C@H]1O
InChIInChI=1S/C30H43NO10/c1-2-3-14-31(15-21(32)25(36)27-23(34)17-38-29(40-27)19-10-6-4-7-11-19)16-22(33)26(37)28-24(35)18-39-30(41-28)20-12-8-5-9-13-20/h4-13,21-30,32-37H,2-3,14-18H2,1H3/t21-,22-,23+,24+,25+,26+,27+,28+,29?,30?/m0/s1
InChIKeyHFOJFKCPEAMVNY-QTRNWOFMSA-N
MW577.67 g/mol
LogP0.48
Rot. Bonds13

About (1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol

(1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol (PubChem CID 90225375) has the molecular formula C30H43NO10 and a molecular weight of 577.67 g/mol. Its IUPAC name is (1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol
PubChem CID90225375
Molecular FormulaC30H43NO10
Molecular Weight577.67 g/mol
Exact Mass577.29
IUPAC Name(1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol
SMILESCCCCN(C[C@H](O)[C@@H](O)[C@@H]1OC(c2ccccc2)OC[C@H]1O)C[C@H](O)[C@@H](O)[C@@H]1OC(c2ccccc2)OC[C@H]1O
InChIInChI=1S/C30H43NO10/c1-2-3-14-31(15-21(32)25(36)27-23(34)17-38-29(40-27)19-10-6-4-7-11-19)16-22(33)26(37)28-24(35)18-39-30(41-28)20-12-8-5-9-13-20/h4-13,21-30,32-37H,2-3,14-18H2,1H3/t21-,22-,23+,24+,25+,26+,27+,28+,29?,30?/m0/s1
InChIKeyHFOJFKCPEAMVNY-QTRNWOFMSA-N
XLogP0.48
TPSA161.54 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500577.67
LogP ≤ 50.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze (1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

(1R,2S)-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol
CID 139581123
tert-butyl N-[2-[bis[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]ethyl]carbamate
CID 134560241
3-[[2,3-dihydroxy-3-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)propyl]-methylamino]-1-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)propane-1,2-diol;6-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]hexane-1,2,3,4,5-pentol
CID 160770521
(1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol
CID 138577008
1-[2-[3-aminoprop-1-en-2-yl(ethyl)amino]-5-[3-[bis[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]propoxy]phenyl]butan-1-one
CID 163504992
(1R)-1-[(2S,4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
CID 11075553
tert-butyl N-[2-[4-[4-[2-[bis[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]ethyl]phenyl]phenyl]ethyl]carbamate
CID 134560244
4-[4-(4-aminobutyl)naphthalen-1-yl]-2-[3-[bis[2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]propylamino]butanamide
CID 134346361
3-(4-aminopiperidin-1-yl)-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol
CID 139581033
tert-butyl N-[4-[bis[(2S,3R)-2,3-dihydroxy-3-[(2R,4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]cyclohexyl]carbamate
CID 142755301
9H-fluoren-9-ylmethyl N-[[5-[3-[bis[2,3-dihydroxy-3-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)propyl]amino]propoxy]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]carbamate
CID 138560507
methyl (2S)-2-hydroxy-2-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]acetate
CID 165345559

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol?
The IUPAC name of (1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol (CID 90225375) is (1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol.
What is the SMILES notation for (1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol?
The canonical SMILES for (1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol is CCCCN(C[C@H](O)[C@@H](O)[C@@H]1OC(c2ccccc2)OC[C@H]1O)C[C@H](O)[C@@H](O)[C@@H]1OC(c2ccccc2)OC[C@H]1O.
What is the InChIKey of (1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol?
The InChIKey is HFOJFKCPEAMVNY-QTRNWOFMSA-N. The full InChI is InChI=1S/C30H43NO10/c1-2-3-14-31(15-21(32)25(36)27-23(34)17-38-29(40-27)19-10-6-4-7-11-19)16-22(33)26(37)28-24(35)18-39-30(41-28)20-12-8-5-9-13-20/h4-13,21-30,32-37H,2-3,14-18H2,1H3/t21-,22-,23+,24+,25+,26+,27+,28+,29?,30?/m0/s1.
What are the key properties of (1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol?
(1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol has a molecular weight of 577.67 g/mol, XLogP of 0.48, 13 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3-[butyl-[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol is sourced from PubChem (CID 90225375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).