Structure Database (LMSD)
Common Name
11-Hydroxyprogesterone 11-glucuronide
Systematic Name
Synonyms
LM ID
LMST05010031
Formula
Exact Mass
Calculate m/z
506.251585
Sum Composition
Status
Curated
3D model of 11-Hydroxyprogesterone 11-glucuronide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
WVTMNZAPPOMZST-UCMXSJKRSA-N
InChi (Click to copy)
InChI=1S/C27H38O9/c1-12(28)16-6-7-17-15-5-4-13-10-14(29)8-9-26(13,2)19(15)18(11-27(16,17)3)35-25-22(32)20(30)21(31)23(36-25)24(33)34/h10,15-23,25,30-32H,4-9,11H2,1-3H3,(H,33,34)/t15?,16-,17?,18?,19?,20+,21+,22-,23+,25-,26+,27-/m1/s1
SMILES (Click to copy)
C12CCC3=CC(=O)CC[C@]3(C)C1C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1)C[C@]1(C)[C@@H](C(=O)C)CCC21
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
5
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
482.41
Topological Polar Surface Area
152.66
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
9
logP
3.33
Molar Refractivity
128.53
Admin
Created at
-
Updated at
23rd Nov 2021