(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol

C12H25NO5 — CID 155982650

IUPAC(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol
SMILESOC[C@@H](O)[C@H]1OCCCCCCNC[C@H](O)[C@H]1O
InChIInChI=1S/C12H25NO5/c14-8-10(16)12-11(17)9(15)7-13-5-3-1-2-4-6-18-12/h9-17H,1-8H2/t9-,10+,11+,12+/m0/s1
InChIKeyTZRDZQLSFXSFSF-IRCOFANPSA-N
MW263.33 g/mol
LogP-1.39
Rot. Bonds2

About (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol

(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol (PubChem CID 155982650) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol
PubChem CID155982650
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol
SMILESOC[C@@H](O)[C@H]1OCCCCCCNC[C@H](O)[C@H]1O
InChIInChI=1S/C12H25NO5/c14-8-10(16)12-11(17)9(15)7-13-5-3-1-2-4-6-18-12/h9-17H,1-8H2/t9-,10+,11+,12+/m0/s1
InChIKeyTZRDZQLSFXSFSF-IRCOFANPSA-N
XLogP-1.39
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 5-1.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol?
The IUPAC name of (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol (CID 155982650) is (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol?
The canonical SMILES for (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol is OC[C@@H](O)[C@H]1OCCCCCCNC[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol?
The InChIKey is TZRDZQLSFXSFSF-IRCOFANPSA-N. The full InChI is InChI=1S/C12H25NO5/c14-8-10(16)12-11(17)9(15)7-13-5-3-1-2-4-6-18-12/h9-17H,1-8H2/t9-,10+,11+,12+/m0/s1.
What are the key properties of (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol?
(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol has a molecular weight of 263.33 g/mol, XLogP of -1.39, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-1-oxa-6-azacyclododecane-3,4-diol is sourced from PubChem (CID 155982650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).