(2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol

C26H31NO8 — CID 134883723

IUPAC(2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESO[C@@H]1[C@H](N[C@@H]2[C@@H]3OCC(O3)[C@@H](OCc3ccccc3)[C@@H]2O)[C@@H]2OCC(O2)[C@H]1OCc1ccccc1
InChIInChI=1S/C26H31NO8/c28-21-19(25-32-13-17(34-25)23(21)30-11-15-7-3-1-4-8-15)27-20-22(29)24(18-14-33-26(20)35-18)31-12-16-9-5-2-6-10-16/h1-10,17-29H,11-14H2/t17?,18?,19-,20-,21+,22+,23+,24+,25+,26+/m0/s1
InChIKeyHSKSBUNDJYNWEJ-LMYBWDTPSA-N
MW485.53 g/mol
LogP0.72
Rot. Bonds8

About (2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol

(2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 134883723) has the molecular formula C26H31NO8 and a molecular weight of 485.53 g/mol. Its IUPAC name is (2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID134883723
Molecular FormulaC26H31NO8
Molecular Weight485.53 g/mol
Exact Mass485.20
IUPAC Name(2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESO[C@@H]1[C@H](N[C@@H]2[C@@H]3OCC(O3)[C@@H](OCc3ccccc3)[C@@H]2O)[C@@H]2OCC(O2)[C@H]1OCc1ccccc1
InChIInChI=1S/C26H31NO8/c28-21-19(25-32-13-17(34-25)23(21)30-11-15-7-3-1-4-8-15)27-20-22(29)24(18-14-33-26(20)35-18)31-12-16-9-5-2-6-10-16/h1-10,17-29H,11-14H2/t17?,18?,19-,20-,21+,22+,23+,24+,25+,26+/m0/s1
InChIKeyHSKSBUNDJYNWEJ-LMYBWDTPSA-N
XLogP0.72
TPSA107.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 134883723) is (2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol is O[C@@H]1[C@H](N[C@@H]2[C@@H]3OCC(O3)[C@@H](OCc3ccccc3)[C@@H]2O)[C@@H]2OCC(O2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is HSKSBUNDJYNWEJ-LMYBWDTPSA-N. The full InChI is InChI=1S/C26H31NO8/c28-21-19(25-32-13-17(34-25)23(21)30-11-15-7-3-1-4-8-15)27-20-22(29)24(18-14-33-26(20)35-18)31-12-16-9-5-2-6-10-16/h1-10,17-29H,11-14H2/t17?,18?,19-,20-,21+,22+,23+,24+,25+,26+/m0/s1.
What are the key properties of (2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
(2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 485.53 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-4-[[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 134883723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).