methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid

C7H20NO8PS — CID 121334059

IUPACmethane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid
SMILESC.O=C[C@H](NS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO.P
InChIInChI=1S/C6H13NO8S.CH4.H3P/c8-1-3(7-16(13,14)15)5(11)6(12)4(10)2-9;;/h1,3-7,9-12H,2H2,(H,13,14,15);1H4;1H3/t3-,4+,5+,6+;;/m0../s1
InChIKeyHFDSHMBZSNBOEN-FAOVPRGRSA-N
MW309.28 g/mol
LogP-3.28
Rot. Bonds7

About methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid

methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid (PubChem CID 121334059) has the molecular formula C7H20NO8PS and a molecular weight of 309.28 g/mol. Its IUPAC name is methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid.

Molecular Properties

Compound Namemethane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid
PubChem CID121334059
Molecular FormulaC7H20NO8PS
Molecular Weight309.28 g/mol
Exact Mass309.06
IUPAC Namemethane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid
SMILESC.O=C[C@H](NS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO.P
InChIInChI=1S/C6H13NO8S.CH4.H3P/c8-1-3(7-16(13,14)15)5(11)6(12)4(10)2-9;;/h1,3-7,9-12H,2H2,(H,13,14,15);1H4;1H3/t3-,4+,5+,6+;;/m0../s1
InChIKeyHFDSHMBZSNBOEN-FAOVPRGRSA-N
XLogP-3.28
TPSA164.39 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.28
LogP ≤ 5-3.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid with MolForge

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Launch Full Analysis

Related Compounds

[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid
CID 57350174
sulfuric acid;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid
CID 22818655
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamate
CID 171149399
(2S,3S,4R,5R)-1,2,3,4-tetrahydroxy-6-oxo-5-(sulfoamino)hexane-1-sulfonic acid
CID 87236956
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal
CID 173425363
(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(methylamino)hexanal
CID 124764485
2,2-dichloro-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 25174847
3-[deuterio-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]amino]propane-1-sulfonic acid
CID 141059913
bis((2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal);sulfuric acid
CID 73415774
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide;N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87346287
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87277694
azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid
CID 175470140

Frequently Asked Questions

What is the IUPAC name of methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid?
The IUPAC name of methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid (CID 121334059) is methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid.
What is the SMILES notation for methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid?
The canonical SMILES for methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid is C.O=C[C@H](NS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO.P.
What is the InChIKey of methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid?
The InChIKey is HFDSHMBZSNBOEN-FAOVPRGRSA-N. The full InChI is InChI=1S/C6H13NO8S.CH4.H3P/c8-1-3(7-16(13,14)15)5(11)6(12)4(10)2-9;;/h1,3-7,9-12H,2H2,(H,13,14,15);1H4;1H3/t3-,4+,5+,6+;;/m0../s1.
What are the key properties of methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid?
methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid has a molecular weight of 309.28 g/mol, XLogP of -3.28, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid is sourced from PubChem (CID 121334059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).