(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol

C18H19NO6S — CID 100991641

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](ON2c3ccccc3Sc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H19NO6S/c20-9-12-15(21)16(22)17(23)18(24-12)25-19-10-5-1-3-7-13(10)26-14-8-4-2-6-11(14)19/h1-8,12,15-18,20-23H,9H2/t12-,15-,16+,17-,18+/m1/s1
InChIKeyIMUYAKNLRSCTFA-CUWKQTPXSA-N
MW377.42 g/mol
LogP1.02
Rot. Bonds3

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol (PubChem CID 100991641) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol
PubChem CID100991641
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](ON2c3ccccc3Sc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H19NO6S/c20-9-12-15(21)16(22)17(23)18(24-12)25-19-10-5-1-3-7-13(10)26-14-8-4-2-6-11(14)19/h1-8,12,15-18,20-23H,9H2/t12-,15-,16+,17-,18+/m1/s1
InChIKeyIMUYAKNLRSCTFA-CUWKQTPXSA-N
XLogP1.02
TPSA102.62 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol
CID 173129842
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol
CID 20631341
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
(2S,3S,4R,5S,6S)-2-(2-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7164150
(2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67777099
(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 742489
(2R,3R,4S,5S,6R)-2-benzhydryloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101271138
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
CID 21252322

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol (CID 100991641) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol is OC[C@H]1O[C@@H](ON2c3ccccc3Sc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol?
The InChIKey is IMUYAKNLRSCTFA-CUWKQTPXSA-N. The full InChI is InChI=1S/C18H19NO6S/c20-9-12-15(21)16(22)17(23)18(24-12)25-19-10-5-1-3-7-13(10)26-14-8-4-2-6-11(14)19/h1-8,12,15-18,20-23H,9H2/t12-,15-,16+,17-,18+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol has a molecular weight of 377.42 g/mol, XLogP of 1.02, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol is sourced from PubChem (CID 100991641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).